data_5utv_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 5utv _Structure_validation_residue.Date_analyzed 2017-06-16 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.482 ' CE2' HD12 ' A' ' 74' ' ' LEU . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HE2' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HG ' ' HB2' ' A' ' 46' ' ' LEU . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HB2' ' HG ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' ' CE2' ' A' ' 9' ' ' PHE . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' HG23 ' A' ' 13' ' ' ILE . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HG ' HD11 ' A' ' 56' ' ' ILE . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.492 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD11 ' HG ' ' A' ' 47' ' ' CYS . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.619 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.647 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HG ' HD13 ' A' ' 56' ' ' ILE . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HD13 ' HG ' ' A' ' 47' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.027 0 CA-C-O 118.823 -0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 7' ' ' GLN . 2.7 tp60 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' HG ' ' A' ' 39' ' ' CYS . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.447 ' CH2' HD22 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.538 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' HG ' ' HB ' ' A' ' 38' ' ' ILE . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.536 ' CD2' ' CE2' ' A' ' 9' ' ' PHE . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.973 0.416 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HG ' ' HZ3' ' A' ' 40' ' ' LYS . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 13' ' ' ILE . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HZ3' ' HG ' ' A' ' 24' ' ' LEU . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' H ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 120.276 0.084 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.462 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.598 ' HG1' HG21 ' A' ' 34' ' ' VAL . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG21 ' HG1' ' A' ' 29' ' ' THR . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.418 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' CB ' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.422 ' H ' ' CB ' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.471 ' CH2' HD21 ' A' ' 46' ' ' LEU . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.526 0.203 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' ASP 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG22 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 21' ' ' TRP . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' H ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 121.034 0.445 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 21' ' ' TRP . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.487 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG12 ' HG ' ' A' ' 39' ' ' CYS . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.534 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' HG1' ' CG ' ' A' ' 52' ' ' ASN . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' CG ' ' HG1' ' A' ' 51' ' ' THR . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 46' ' ' LEU . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.469 ' HG ' HD11 ' A' ' 56' ' ' ILE . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.54 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 47' ' ' CYS . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.91 0.386 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HA ' HD21 ' A' ' 16' ' ' ASN . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.437 HD21 ' HA ' ' A' ' 12' ' ' ASP . 51.0 m-20 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.426 ' CE2' HD11 ' A' ' 74' ' ' LEU . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.267 0.079 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.442 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.446 ' HG ' ' CD1' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CD1' ' HG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 46' ' ' LEU . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 5.6 tp60 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 46' ' ' LEU . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.558 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HG ' HD13 ' A' ' 56' ' ' ILE . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.424 ' HG1' ' CG ' ' A' ' 52' ' ' ASN . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' CG ' ' HG1' ' A' ' 51' ' ' THR . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 47' ' ' CYS . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 122.219 1.009 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.548 HG21 ' HG ' ' A' ' 39' ' ' CYS . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.422 ' HG1' HG22 ' A' ' 34' ' ' VAL . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HG1' ' A' ' 29' ' ' THR . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HG ' HG21 ' A' ' 13' ' ' ILE . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.405 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' H ' ' HB ' ' A' ' 66' ' ' THR . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 121.492 0.663 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' N ' HH12 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.528 ' HG1' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG23 ' HG1' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HG ' HD11 ' A' ' 56' ' ' ILE . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG11 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD1' ' HG ' ' A' ' 46' ' ' LEU . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CH2' HD22 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 HH12 ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HG ' HD12 ' A' ' 56' ' ' ILE . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.458 HD12 ' HG ' ' A' ' 47' ' ' CYS 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.544 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.408 ' CH2' HD21 ' A' ' 46' ' ' LEU . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' HG11 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.117 0.043 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -179.45 -72.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.904 2.482 . . . . 0.0 112.417 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 ptm -64.9 41.9 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.21 2.204 . . . . 0.0 112.455 161.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -115.57 -69.33 0.86 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.147 1.379 . . . . 0.0 109.24 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.89 36.17 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.742 -1.224 . . . . 0.0 112.946 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.482 ' CE2' HD12 ' A' ' 74' ' ' LEU . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HE2' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HG ' ' HB2' ' A' ' 46' ' ' LEU . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HB2' ' HG ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' ' CE2' ' A' ' 9' ' ' PHE . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -92.97 -11.03 34.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 m -131.31 83.91 2.14 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.175 2.19 . . . . 0.0 110.83 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 1.5 mppt? . . . . . 0 C--O 1.274 2.371 0 CA-C-O 112.492 -3.623 . . . . 0.0 114.6 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 116.521 -1.704 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' A' ' 4' ' ' THR . 6.5 m80 -134.13 -91.18 0.35 Allowed 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -150.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.408 ' H ' ' HB2' ' A' ' 2' ' ' HIS . 76.5 mtm -66.85 27.05 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.043 2.537 . . . . 0.0 113.624 172.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' HIS . 26.4 m -100.08 -67.87 0.83 Allowed 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 121.8 -0.562 . . . . 0.0 110.649 160.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.7 34.94 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.406 -0.809 . . . . 0.0 111.306 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' SG ' HG23 ' A' ' 13' ' ' ILE . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HG ' HD11 ' A' ' 56' ' ' ILE . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.492 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD11 ' HG ' ' A' ' 47' ' ' CYS . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.459 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.22 2.41 56.38 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 m -141.23 79.11 1.67 Allowed 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 126.786 2.035 . . . . 0.0 113.769 -170.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? . . . . . 0 C--O 1.255 1.36 0 C-N-CA 127.626 2.371 . . . . 0.0 115.97 156.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 114.258 -2.782 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 4' ' ' THR . 38.1 m170 -111.66 -96.11 0.43 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.425 2.375 . . . . 0.0 109.936 -166.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.5 mtm -58.59 29.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.025 3.33 . . . . 0.0 113.364 160.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.442 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.5 m -97.15 -68.17 0.81 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.027 1.331 . . . . 0.0 111.367 173.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.48 -36.41 20.58 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.647 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HG ' HD13 ' A' ' 56' ' ' ILE . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HD13 ' HG ' ' A' ' 47' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.87 -19.13 16.8 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -143.06 121.18 12.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.351 1.86 . . . . 0.0 110.283 -160.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.267 1.992 1 C-N-CA 133.322 4.649 . . . . 0.0 116.761 -158.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.522 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -175.55 -86.02 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.465 1.029 . . . . 0.0 108.995 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.522 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -55.62 12.63 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.911 2.885 . . . . 0.0 116.986 171.179 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.2 t -115.85 -54.09 2.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.31 1.414 . . . . 0.0 111.644 172.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.78 66.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.508 1.123 . . . . 0.0 110.337 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 7' ' ' GLN . 2.7 tp60 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' HG ' ' A' ' 39' ' ' CYS . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.447 ' CH2' HD22 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.538 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' HG ' ' HB ' ' A' ' 38' ' ' ILE . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.536 ' CD2' ' CE2' ' A' ' 9' ' ' PHE . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.27 -16.39 18.52 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -138.12 115.53 11.17 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.912 1.685 . . . . 0.0 111.398 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.567 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 1 C-N-CA 133.43 4.692 . . . . 0.0 116.488 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' THR . 1.1 p-80 -120.52 -89.06 0.61 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 120.876 1.671 . . . . 0.0 111.353 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.9 mtt -57.51 29.67 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.694 3.197 . . . . 0.0 113.126 158.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' HIS . 6.6 m -96.12 -71.15 0.69 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.996 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.81 -35.74 20.49 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 120.627 1.558 . . . . 0.0 112.0 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HG ' ' HZ3' ' A' ' 40' ' ' LYS . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 13' ' ' ILE . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HZ3' ' HG ' ' A' ' 24' ' ' LEU . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' HB2' ' H ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.91 -0.62 54.78 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -138.92 59.55 1.62 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.992 2.117 . . . . 0.0 113.48 -165.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 C-N-CA 130.74 3.616 . . . . 0.0 116.18 158.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -164.16 -98.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.494 -161.124 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.8 ptm -53.76 30.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 130.274 3.43 . . . . 0.0 113.645 149.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.7 m -115.25 -67.44 0.99 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.047 2.539 . . . . 0.0 109.313 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.66 -38.54 23.31 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.978 0.354 . . . . 0.0 110.991 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.598 ' HG1' HG21 ' A' ' 34' ' ' VAL . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG21 ' HG1' ' A' ' 29' ' ' THR . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.418 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' CB ' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.422 ' H ' ' CB ' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.58 -12.52 25.56 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -108.61 78.66 1.17 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.651 2.38 . . . . 0.0 108.663 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 1 C--O 1.313 4.437 0 C-N-CA 130.489 3.516 . . . . 0.0 119.749 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 115.791 -2.052 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.16 -94.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 121.754 2.07 . . . . 0.0 112.631 -169.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -60.67 31.53 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 129.988 3.315 . . . . 0.0 116.371 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -104.89 -63.25 1.24 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.962 1.705 . . . . 0.0 112.722 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.49 -42.06 59.62 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.471 ' CH2' HD21 ' A' ' 46' ' ' LEU . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.78 -6.65 16.66 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.4 m -137.4 114.45 10.73 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.254 1.021 . . . . 0.0 110.247 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 6.8 mptt . . . . . 0 C--O 1.251 1.183 1 C-N-CA 131.792 4.037 . . . . 0.0 114.52 -167.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -179.94 -87.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 129.577 3.151 . . . . 0.0 105.853 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.63 34.67 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.643 2.777 . . . . 0.0 114.024 169.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.79 -66.1 1.12 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 126.18 1.792 . . . . 0.0 111.868 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.01 43.07 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.745 -0.597 . . . . 0.0 111.404 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' ASP 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.96 -0.86 57.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 m -143.16 118.14 10.02 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 123.465 1.602 . . . . 0.0 114.466 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.671 1 C-N-CA 132.118 4.167 . . . . 0.0 119.652 170.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -151.67 -90.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.807 1.243 . . . . 0.0 112.14 -173.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -60.25 30.73 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 129.768 3.227 . . . . 0.0 115.634 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 m -111.32 -62.21 1.58 Allowed 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 126.191 1.796 . . . . 0.0 111.123 -172.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.22 -43.75 13.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.33 0.514 . . . . 0.0 111.728 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG22 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 21' ' ' TRP . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' HB2' ' H ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' H ' ' HB2' ' A' ' 52' ' ' ASN . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER -80.54 -7.78 59.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -132.66 70.74 1.47 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.403 1.881 . . . . 0.0 111.76 -163.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.292 0.5 OUTLIER . . . . . 0 C--O 1.282 2.787 0 C-N-CA 128.726 2.81 . . . . 0.0 113.736 165.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 -72.61 0.16 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.491 2.316 . . . . 0.0 105.713 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.27 34.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.265 3.026 . . . . 0.0 115.483 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -109.38 -67.1 1.01 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.179 1.391 . . . . 0.0 112.67 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.56 -38.18 55.4 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.536 1.516 . . . . 0.0 112.108 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 21' ' ' TRP . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.487 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -93.18 1.61 57.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 t -160.02 97.76 1.29 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.729 1.611 . . . . 0.0 111.054 -174.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.286 3.021 1 C-N-CA 134.577 5.151 . . . . 0.0 113.734 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.69 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.7 p80 -165.86 -92.77 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 121.481 1.946 . . . . 0.0 112.863 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.69 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 54.6 mtt -66.41 34.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 129.723 3.209 . . . . 0.0 114.01 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.23 -66.57 1.07 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 124.93 1.292 . . . . 0.0 110.426 175.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.94 -48.68 65.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG12 ' HG ' ' A' ' 39' ' ' CYS . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.534 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' HG1' ' CG ' ' A' ' 52' ' ' ASN . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' CG ' ' HG1' ' A' ' 51' ' ' THR . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.28 4.92 39.69 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.2 m -127.83 94.61 3.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.434 1.494 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 C--O 1.262 1.762 0 O-C-N 126.77 2.543 . . . . 0.0 116.982 177.215 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 119.763 -0.161 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 3' ' ' MET . 1.0 OUTLIER 172.27 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.784 1.634 . . . . 0.0 108.904 -171.029 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.506 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 9.3 ptm -56.27 6.45 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 130.587 3.555 . . . . 0.0 115.716 175.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m -100.97 -69.91 0.76 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 168.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.09 -53.44 58.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.96 0.904 . . . . 0.0 112.4 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 46' ' ' LEU . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' HG ' HD11 ' A' ' 56' ' ' ILE . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.54 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 47' ' ' CYS . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.9 2.99 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -122.79 58.04 1.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.427 1.491 . . . . 0.0 112.197 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.499 0 C-N-CA 130.753 3.621 . . . . 0.0 115.299 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -176.5 -92.19 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.464 1.029 . . . . 0.0 109.768 -171.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -61.89 30.92 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 129.174 2.99 . . . . 0.0 115.385 168.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' HIS . 3.3 m -112.7 -69.58 0.86 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.738 1.215 . . . . 0.0 109.823 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 -38.2 42.24 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.507 -0.745 . . . . 0.0 111.362 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HA ' HD21 ' A' ' 16' ' ' ASN . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.437 HD21 ' HA ' ' A' ' 12' ' ' ASP . 51.0 m-20 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.426 ' CE2' HD11 ' A' ' 74' ' ' LEU . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.55 -1.64 21.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 m -163.91 117.71 1.48 Allowed 'General case' 0 C--N 1.387 2.207 0 CA-C-O 125.106 2.384 . . . . 0.0 110.403 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.263 0 C-N-CA 128.866 2.867 . . . . 0.0 118.62 169.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -146.21 -87.91 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.564 1.146 . . . . 0.0 109.629 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -65.68 25.1 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.153 2.981 . . . . 0.0 113.841 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -111.69 -65.73 1.15 Allowed 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.499 1.12 . . . . 0.0 110.176 176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.2 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.913 -0.492 . . . . 0.0 110.845 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.442 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.446 ' HG ' ' CD1' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CD1' ' HG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 46' ' ' LEU . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.67 11.88 27.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -153.8 98.6 2.21 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 118.843 -2.411 . . . . 0.0 113.414 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 1 C--O 1.136 -4.919 0 O-C-N 128.36 3.537 . . . . 0.0 114.304 165.251 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -142.28 -90.25 0.14 Allowed 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 121.915 2.143 . . . . 0.0 113.168 -171.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 24.33 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.8 2.44 . . . . 0.0 113.766 171.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -104.57 -66.84 0.94 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 118.428 0.558 . . . . 0.0 112.062 166.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.43 60.79 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -173.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 5.6 tp60 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 46' ' ' LEU . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.558 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HG ' HD13 ' A' ' 56' ' ' ILE . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.424 ' HG1' ' CG ' ' A' ' 52' ' ' ASN . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' CG ' ' HG1' ' A' ' 51' ' ' THR . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 47' ' ' CYS . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -111.58 13.32 21.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 t -70.21 37.3 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 120.254 3.427 . . . . 0.0 120.254 -162.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE2' ' OXT' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.294 3.4 0 CA-C-O 115.232 -2.318 . . . . 0.0 116.314 -157.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 4' ' ' THR . 68.4 m-70 -144.31 -90.61 0.11 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.541 -1.349 . . . . 0.0 112.192 -164.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 mtm -64.83 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 129.257 3.023 . . . . 0.0 113.182 165.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.3 t -113.29 -55.85 2.47 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 125.072 1.349 . . . . 0.0 111.32 164.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.18 -47.87 55.02 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.857 1.263 . . . . 0.0 110.707 -162.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.548 HG21 ' HG ' ' A' ' 39' ' ' CYS . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.422 ' HG1' HG22 ' A' ' 34' ' ' VAL . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HG1' ' A' ' 29' ' ' THR . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HB ' ' HG ' ' A' ' 39' ' ' CYS . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HG ' HG21 ' A' ' 13' ' ' ILE . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.405 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' H ' ' HB ' ' A' ' 66' ' ' THR . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -94.31 -8.43 38.99 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 75.6 m -134.46 98.06 3.98 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 127.286 2.234 . . . . 0.0 110.16 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 10.3 mptt . . . . . 0 C--O 1.268 2.054 0 C-N-CA 129.258 3.023 . . . . 0.0 111.541 164.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.545 ' CD2' ' H ' ' A' ' 3' ' ' MET . 7.6 p-80 -171.01 -89.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.875 1.27 . . . . 0.0 112.168 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.545 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 65.2 mtt -65.88 34.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 129.289 3.036 . . . . 0.0 113.702 171.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -109.29 -66.62 1.04 Allowed 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.592 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.29 -43.6 32.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 118.935 0.789 . . . . 0.0 110.356 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' N ' HH12 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.528 ' HG1' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG23 ' HG1' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HG ' HD11 ' A' ' 56' ' ' ILE . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG11 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' CD1' ' HG ' ' A' ' 46' ' ' LEU . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.13 16.53 14.09 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.1 m -148.88 96.34 2.55 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 119.671 -1.893 . . . . 0.0 111.857 171.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.524 4.5 pttp . . . . . 0 C--O 1.271 2.221 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 154.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 122.089 0.947 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.534 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -173.99 -86.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.059 1.743 . . . . 0.0 112.137 -170.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.534 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 32.0 mmt -63.06 32.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.852 3.261 . . . . 0.0 113.484 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -98.84 -64.28 1.05 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 120.462 -1.399 . . . . 0.0 110.921 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.59 -49.02 52.13 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 -170.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CH2' HD22 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 HH12 ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD22 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.458 ' HG ' HD12 ' A' ' 56' ' ' ILE . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' HB2' ' H ' ' A' ' 53' ' ' LEU 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.458 HD12 ' HG ' ' A' ' 47' ' ' CYS 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -93.58 -7.38 44.24 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.3 m -137.89 106.49 5.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.625 2.77 . . . . 0.0 110.449 -166.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.276 2.474 1 CA-C-O 111.141 -4.266 . . . . 0.0 117.271 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 79.05 -73.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 127.094 2.158 . . . . 0.0 108.413 177.507 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.82 33.81 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.246 3.018 . . . . 0.0 111.909 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 2' ' ' HIS . 85.8 m -100.11 -64.13 1.07 Allowed 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.597 2.359 . . . . 0.0 109.311 170.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.74 -46.88 34.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 -174.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.544 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.61 8.39 22.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -127.19 70.08 1.29 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.649 2.38 . . . . 0.0 111.794 170.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 130.932 3.693 . . . . 0.0 115.64 169.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.513 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.5 p80 -171.98 -95.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 121.64 2.018 . . . . 0.0 110.569 167.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.513 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 28.3 ptm -52.88 11.1 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 C-N-CA 130.569 3.548 . . . . 0.0 116.622 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -106.99 -63.51 1.28 Allowed 'General case' 0 CA--C 1.488 -1.429 0 C-N-CA 125.145 1.378 . . . . 0.0 110.031 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 123.789 0.835 . . . . 0.0 110.595 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.408 ' CH2' HD21 ' A' ' 46' ' ' LEU . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 HD21 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' HG11 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -107.42 26.64 9.98 Favored 'General case' 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.28 5.9 t -65.36 29.8 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.278 2.601 0 C-N-CA 127.385 2.274 . . . . 0.0 106.247 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 67' ' ' VAL . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.602 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.413 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.582 HG23 ' CH2' ' A' ' 21' ' ' TRP . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 67' ' ' VAL . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.47 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.619 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.453 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.491 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 56' ' ' ILE . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.491 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.674 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.027 0 CA-C-O 118.823 -0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD23 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 61' ' ' VAL . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 67' ' ' VAL . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.973 0.416 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' HA ' ' HB2' ' A' ' 14' ' ' LEU 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.416 ' HB ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 41' ' ' ARG . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 48' ' ' PHE . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 120.276 0.084 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 53' ' ' LEU . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CH2' HG23 ' A' ' 44' ' ' THR . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' HG22 ' A' ' 37' ' ' THR 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.446 HG21 ' HD1' ' A' ' 45' ' ' TYR . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 44' ' ' THR . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 41' ' ' ARG 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HD1' HG21 ' A' ' 37' ' ' THR . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 9' ' ' PHE . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 6' ' ' VAL . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CD1' HD11 ' A' ' 53' ' ' LEU . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' VAL . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 ' HB ' ' A' ' 61' ' ' VAL . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.516 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 48' ' ' PHE . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 30' ' ' VAL . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.526 0.203 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HG11 ' A' ' 67' ' ' VAL . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' VAL . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.445 HG21 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.446 ' CH2' HG23 ' A' ' 44' ' ' THR . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' SG ' HG21 ' A' ' 56' ' ' ILE . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.415 HG22 ' SG ' ' A' ' 47' ' ' CYS . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 HG13 ' A' ' 67' ' ' VAL . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.686 HG13 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' A' ' 53' ' ' LEU . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 14' ' ' LEU . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 10' ' ' VAL . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' HG21 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 9' ' ' PHE . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.503 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG21 ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 121.034 0.445 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.417 HG12 HD12 ' A' ' 14' ' ' LEU . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 21' ' ' TRP . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CB ' HD23 ' A' ' 53' ' ' LEU . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.3 p30 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 48' ' ' PHE . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.453 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.617 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.495 ' CH2' HD23 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 56' ' ' ILE . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.615 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.615 HD12 ' SG ' ' A' ' 47' ' ' CYS . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.507 ' HA ' HG11 ' A' ' 67' ' ' VAL . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 47' ' ' CYS . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.591 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 37' ' ' THR . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.639 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.91 0.386 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' ILE . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 13' ' ' ILE . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' THR . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.571 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.267 0.079 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.62 ' CH2' HD23 ' A' ' 46' ' ' LEU . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 56' ' ' ILE . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 44' ' ' THR . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.554 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.62 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.702 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.67 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.702 HD12 ' SG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.675 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' THR . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.675 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 122.219 1.009 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 56' ' ' ILE . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CD1' HD11 ' A' ' 56' ' ' ILE . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.589 HG23 ' CH2' ' A' ' 21' ' ' TRP . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' HB1' ' A' ' 70' ' ' ALA . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.684 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.576 HD13 HG13 ' A' ' 67' ' ' VAL . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD12 ' SG ' ' A' ' 47' ' ' CYS . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.576 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 121.492 0.663 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.502 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' VAL . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.785 ' CH2' HD23 ' A' ' 46' ' ' LEU . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' A' ' 61' ' ' VAL . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.785 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HB ' HG11 ' A' ' 30' ' ' VAL . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' HD1' HD21 ' A' ' 46' ' ' LEU . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HA ' HG11 ' A' ' 67' ' ' VAL . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' VAL . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.476 ' CH2' HD23 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' SG ' ' A' ' 47' ' ' CYS 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.496 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 67' ' ' VAL . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.645 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 75' ' ' GLU . 3.1 pt-20 . . . . . 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' HD23 ' A' ' 24' ' ' LEU . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 47' ' ' CYS . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 46' ' ' LEU . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' SG ' HG21 ' A' ' 13' ' ' ILE . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 38' ' ' ILE . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 37' ' ' THR . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.667 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 56' ' ' ILE . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG11 ' HB ' ' A' ' 61' ' ' VAL . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.613 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 44' ' ' THR . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.65 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.411 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.65 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.117 0.043 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -179.45 -72.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.904 2.482 . . . . 0.0 112.417 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 ptm -64.9 41.9 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.21 2.204 . . . . 0.0 112.455 161.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -115.57 -69.33 0.86 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.147 1.379 . . . . 0.0 109.24 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.89 36.17 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.742 -1.224 . . . . 0.0 112.946 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 67' ' ' VAL . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -92.97 -11.03 34.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 m -131.31 83.91 2.14 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.175 2.19 . . . . 0.0 110.83 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 1.5 mppt? . . . . . 0 C--O 1.274 2.371 0 CA-C-O 112.492 -3.623 . . . . 0.0 114.6 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 116.521 -1.704 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.453 ' HB2' ' H ' ' A' ' 3' ' ' MET . 6.5 m80 -134.13 -91.18 0.35 Allowed 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -150.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.453 ' H ' ' HB2' ' A' ' 2' ' ' HIS . 76.5 mtm -66.85 27.05 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.043 2.537 . . . . 0.0 113.624 172.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.4 m -100.08 -67.87 0.83 Allowed 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 121.8 -0.562 . . . . 0.0 110.649 160.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.7 34.94 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.406 -0.809 . . . . 0.0 111.306 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.602 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.582 HG23 ' CH2' ' A' ' 21' ' ' TRP . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 67' ' ' VAL . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.47 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.22 2.41 56.38 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 m -141.23 79.11 1.67 Allowed 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 126.786 2.035 . . . . 0.0 113.769 -170.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? . . . . . 0 C--O 1.255 1.36 0 C-N-CA 127.626 2.371 . . . . 0.0 115.97 156.067 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 114.258 -2.782 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.404 ' C ' ' H ' ' A' ' 4' ' ' THR . 38.1 m170 -111.66 -96.11 0.43 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.425 2.375 . . . . 0.0 109.936 -166.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.5 mtm -58.59 29.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.025 3.33 . . . . 0.0 113.364 160.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.5 m -97.15 -68.17 0.81 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.027 1.331 . . . . 0.0 111.367 173.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.48 -36.41 20.58 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.491 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 56' ' ' ILE . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.491 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.674 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.87 -19.13 16.8 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -143.06 121.18 12.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.351 1.86 . . . . 0.0 110.283 -160.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.267 1.992 1 C-N-CA 133.322 4.649 . . . . 0.0 116.761 -158.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -175.55 -86.02 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.465 1.029 . . . . 0.0 108.995 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.468 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -55.62 12.63 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.911 2.885 . . . . 0.0 116.986 171.179 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.2 t -115.85 -54.09 2.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.31 1.414 . . . . 0.0 111.644 172.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.78 66.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.508 1.123 . . . . 0.0 110.337 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD23 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 61' ' ' VAL . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 67' ' ' VAL . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.27 -16.39 18.52 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -138.12 115.53 11.17 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.912 1.685 . . . . 0.0 111.398 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 1 C-N-CA 133.43 4.692 . . . . 0.0 116.488 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' THR . 1.6 p80 -120.52 -89.06 0.61 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 120.876 1.671 . . . . 0.0 111.353 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.9 mtt -57.51 29.67 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.694 3.197 . . . . 0.0 113.126 158.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' HIS . 6.6 m -96.12 -71.15 0.69 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.996 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.81 -35.74 20.49 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 120.627 1.558 . . . . 0.0 112.0 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' HA ' ' HB2' ' A' ' 14' ' ' LEU 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.416 ' HB ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 41' ' ' ARG . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 48' ' ' PHE . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.91 -0.62 54.78 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -138.92 59.55 1.62 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.992 2.117 . . . . 0.0 113.48 -165.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 C-N-CA 130.74 3.616 . . . . 0.0 116.18 158.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.501 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -164.16 -98.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.494 -161.124 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.8 ptm -53.76 30.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 130.274 3.43 . . . . 0.0 113.645 149.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.7 m -115.25 -67.44 0.99 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.047 2.539 . . . . 0.0 109.313 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.66 -38.54 23.31 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.978 0.354 . . . . 0.0 110.991 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 53' ' ' LEU . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CH2' HG23 ' A' ' 44' ' ' THR . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' HG22 ' A' ' 37' ' ' THR 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.446 HG21 ' HD1' ' A' ' 45' ' ' TYR . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 44' ' ' THR . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 41' ' ' ARG 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HD1' HG21 ' A' ' 37' ' ' THR . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 9' ' ' PHE . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 6' ' ' VAL . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.58 -12.52 25.56 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -108.61 78.66 1.17 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.651 2.38 . . . . 0.0 108.663 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 1 C--O 1.313 4.437 0 C-N-CA 130.489 3.516 . . . . 0.0 119.749 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 115.791 -2.052 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -94.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 121.754 2.07 . . . . 0.0 112.631 -169.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -60.67 31.53 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 129.988 3.315 . . . . 0.0 116.371 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -104.89 -63.25 1.24 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.962 1.705 . . . . 0.0 112.722 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.49 -42.06 59.62 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CD1' HD11 ' A' ' 53' ' ' LEU . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' VAL . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 ' HB ' ' A' ' 61' ' ' VAL . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.516 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 48' ' ' PHE . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 30' ' ' VAL . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.78 -6.65 16.66 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.4 m -137.4 114.45 10.73 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.254 1.021 . . . . 0.0 110.247 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 6.8 mptt . . . . . 0 C--O 1.251 1.183 1 C-N-CA 131.792 4.037 . . . . 0.0 114.52 -167.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -179.94 -87.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 129.577 3.151 . . . . 0.0 105.853 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.63 34.67 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.643 2.777 . . . . 0.0 114.024 169.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.79 -66.1 1.12 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 126.18 1.792 . . . . 0.0 111.868 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.01 43.07 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.745 -0.597 . . . . 0.0 111.404 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HG11 ' A' ' 67' ' ' VAL . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' VAL . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.445 HG21 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.446 ' CH2' HG23 ' A' ' 44' ' ' THR . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' SG ' HG21 ' A' ' 56' ' ' ILE . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.415 HG22 ' SG ' ' A' ' 47' ' ' CYS . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 HG13 ' A' ' 67' ' ' VAL . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.686 HG13 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.96 -0.86 57.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 m -143.16 118.14 10.02 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 123.465 1.602 . . . . 0.0 114.466 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.671 1 C-N-CA 132.118 4.167 . . . . 0.0 119.652 170.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -151.67 -90.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.807 1.243 . . . . 0.0 112.14 -173.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -60.25 30.73 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 129.768 3.227 . . . . 0.0 115.634 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 m -111.32 -62.21 1.58 Allowed 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 126.191 1.796 . . . . 0.0 111.123 -172.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -85.22 -43.75 13.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.33 0.514 . . . . 0.0 111.728 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' A' ' 53' ' ' LEU . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 14' ' ' LEU . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 10' ' ' VAL . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' HG21 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 9' ' ' PHE . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.503 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG21 ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER -80.54 -7.78 59.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -132.66 70.74 1.47 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.403 1.881 . . . . 0.0 111.76 -163.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.292 0.5 OUTLIER . . . . . 0 C--O 1.282 2.787 0 C-N-CA 128.726 2.81 . . . . 0.0 113.736 165.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.25 -72.61 0.16 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.491 2.316 . . . . 0.0 105.713 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.27 34.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.265 3.026 . . . . 0.0 115.483 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -109.38 -67.1 1.01 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.179 1.391 . . . . 0.0 112.67 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.56 -38.18 55.4 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.536 1.516 . . . . 0.0 112.108 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG12 HD12 ' A' ' 14' ' ' LEU . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 21' ' ' TRP . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CB ' HD23 ' A' ' 53' ' ' LEU . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.3 p30 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 48' ' ' PHE . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -93.18 1.61 57.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 76' ' ' THR . 5.3 t -160.02 97.76 1.29 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.729 1.611 . . . . 0.0 111.054 -174.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.286 3.021 1 C-N-CA 134.577 5.151 . . . . 0.0 113.734 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.7 p80 -165.86 -92.77 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 121.481 1.946 . . . . 0.0 112.863 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.64 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 54.6 mtt -66.41 34.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 129.723 3.209 . . . . 0.0 114.01 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.23 -66.57 1.07 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 124.93 1.292 . . . . 0.0 110.426 175.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.94 -48.68 65.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.453 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.617 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.495 ' CH2' HD23 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 56' ' ' ILE . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.615 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.615 HD12 ' SG ' ' A' ' 47' ' ' CYS . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.28 4.92 39.69 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.2 m -127.83 94.61 3.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.434 1.494 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 C--O 1.262 1.762 0 O-C-N 126.77 2.543 . . . . 0.0 116.982 177.215 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 119.763 -0.161 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 p80 172.27 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.784 1.634 . . . . 0.0 108.904 -171.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.3 ptm -56.27 6.45 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 130.587 3.555 . . . . 0.0 115.716 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m -100.97 -69.91 0.76 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 168.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.09 -53.44 58.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.96 0.904 . . . . 0.0 112.4 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.507 ' HA ' HG11 ' A' ' 67' ' ' VAL . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 47' ' ' CYS . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.591 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 37' ' ' THR . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.639 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.9 2.99 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -122.79 58.04 1.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.427 1.491 . . . . 0.0 112.197 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.499 0 C-N-CA 130.753 3.621 . . . . 0.0 115.299 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.5 -92.19 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.464 1.029 . . . . 0.0 109.768 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -61.89 30.92 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 129.174 2.99 . . . . 0.0 115.385 168.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -112.7 -69.58 0.86 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.738 1.215 . . . . 0.0 109.823 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 -38.2 42.24 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.507 -0.745 . . . . 0.0 111.362 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' ILE . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 13' ' ' ILE . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' THR . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.571 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.55 -1.64 21.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 m -163.91 117.71 1.48 Allowed 'General case' 0 C--N 1.387 2.207 0 CA-C-O 125.106 2.384 . . . . 0.0 110.403 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.499 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.263 0 C-N-CA 128.866 2.867 . . . . 0.0 118.62 169.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -146.21 -87.91 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.564 1.146 . . . . 0.0 109.629 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -65.68 25.1 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.153 2.981 . . . . 0.0 113.841 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -111.69 -65.73 1.15 Allowed 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.499 1.12 . . . . 0.0 110.176 176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.2 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.913 -0.492 . . . . 0.0 110.845 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.62 ' CH2' HD23 ' A' ' 46' ' ' LEU . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 56' ' ' ILE . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 44' ' ' THR . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.554 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.62 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.702 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.67 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.702 HD12 ' SG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.67 11.88 27.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -153.8 98.6 2.21 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 118.843 -2.411 . . . . 0.0 113.414 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 1 C--O 1.136 -4.919 0 O-C-N 128.36 3.537 . . . . 0.0 114.304 165.251 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -142.28 -90.25 0.14 Allowed 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 121.915 2.143 . . . . 0.0 113.168 -171.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 24.33 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.8 2.44 . . . . 0.0 113.766 171.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -104.57 -66.84 0.94 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 118.428 0.558 . . . . 0.0 112.062 166.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.43 60.79 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -173.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.675 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' THR . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.675 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -111.58 13.32 21.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 t -70.21 37.3 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 120.254 3.427 . . . . 0.0 120.254 -162.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' OXT' ' HE2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.294 3.4 0 CA-C-O 115.232 -2.318 . . . . 0.0 116.314 -157.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -144.31 -90.61 0.11 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.541 -1.349 . . . . 0.0 112.192 -164.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 mtm -64.83 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 129.257 3.023 . . . . 0.0 113.182 165.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -113.29 -55.85 2.47 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 125.072 1.349 . . . . 0.0 111.32 164.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.18 -47.87 55.02 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.857 1.263 . . . . 0.0 110.707 -162.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 56' ' ' ILE . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CD1' HD11 ' A' ' 56' ' ' ILE . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.589 HG23 ' CH2' ' A' ' 21' ' ' TRP . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' HB1' ' A' ' 70' ' ' ALA . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.684 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.576 HD13 HG13 ' A' ' 67' ' ' VAL . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD12 ' SG ' ' A' ' 47' ' ' CYS . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.576 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -94.31 -8.43 38.99 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 75.6 m -134.46 98.06 3.98 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 127.286 2.234 . . . . 0.0 110.16 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 10.3 mptt . . . . . 0 C--O 1.268 2.054 0 C-N-CA 129.258 3.023 . . . . 0.0 111.541 164.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -171.01 -89.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.875 1.27 . . . . 0.0 112.168 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.2 mtt -65.88 34.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 129.289 3.036 . . . . 0.0 113.702 171.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -109.29 -66.62 1.04 Allowed 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.592 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.29 -43.6 32.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 118.935 0.789 . . . . 0.0 110.356 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.502 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' VAL . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.785 ' CH2' HD23 ' A' ' 46' ' ' LEU . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' A' ' 61' ' ' VAL . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.785 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HB ' HG11 ' A' ' 30' ' ' VAL . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' HD1' HD21 ' A' ' 46' ' ' LEU . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.13 16.53 14.09 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.1 m -148.88 96.34 2.55 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 119.671 -1.893 . . . . 0.0 111.857 171.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.524 4.5 pttp . . . . . 0 C--O 1.271 2.221 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 154.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 122.089 0.947 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.504 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -173.99 -86.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.059 1.743 . . . . 0.0 112.137 -170.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.504 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 32.0 mmt -63.06 32.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.852 3.261 . . . . 0.0 113.484 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -98.84 -64.28 1.05 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 120.462 -1.399 . . . . 0.0 110.921 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.59 -49.02 52.13 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 -170.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HA ' HG11 ' A' ' 67' ' ' VAL . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' VAL . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.476 ' CH2' HD23 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' SG ' ' A' ' 47' ' ' CYS 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.496 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 67' ' ' VAL . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.645 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 75' ' ' GLU . 3.1 pt-20 -93.58 -7.38 44.24 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.3 m -137.89 106.49 5.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.625 2.77 . . . . 0.0 110.449 -166.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.276 2.474 1 CA-C-O 111.141 -4.266 . . . . 0.0 117.271 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.484 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 79.05 -73.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 127.094 2.158 . . . . 0.0 108.413 177.507 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.82 33.81 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.246 3.018 . . . . 0.0 111.909 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 2' ' ' HIS . 85.8 m -100.11 -64.13 1.07 Allowed 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.597 2.359 . . . . 0.0 109.311 170.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.74 -46.88 34.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 -174.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' HD23 ' A' ' 24' ' ' LEU . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 47' ' ' CYS . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 46' ' ' LEU . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' SG ' HG21 ' A' ' 13' ' ' ILE . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 38' ' ' ILE . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 37' ' ' THR . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.61 8.39 22.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -127.19 70.08 1.29 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.649 2.38 . . . . 0.0 111.794 170.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 130.932 3.693 . . . . 0.0 115.64 169.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.488 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.5 p80 -171.98 -95.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 121.64 2.018 . . . . 0.0 110.569 167.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.488 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 28.3 ptm -52.88 11.1 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 C-N-CA 130.569 3.548 . . . . 0.0 116.622 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -106.99 -63.51 1.28 Allowed 'General case' 0 CA--C 1.488 -1.429 0 C-N-CA 125.145 1.378 . . . . 0.0 110.031 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 123.789 0.835 . . . . 0.0 110.595 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 3' ' ' MET . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.667 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 56' ' ' ILE . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG11 ' HB ' ' A' ' 61' ' ' VAL . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.613 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 44' ' ' THR . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.65 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.411 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.65 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' HA ' ' HB ' ' A' ' 76' ' ' THR . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -107.42 26.64 9.98 Favored 'General case' 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 73' ' ' TYR 0.28 5.9 t -65.36 29.8 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.278 2.601 0 C-N-CA 127.385 2.274 . . . . 0.0 106.247 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 67' ' ' VAL . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.602 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 21.6 tp60 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.413 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.582 HG23 ' CH2' ' A' ' 21' ' ' TRP . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 67' ' ' VAL . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.47 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.619 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.453 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 7.9 tp60 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.491 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 56' ' ' ILE . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.491 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.674 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.027 0 CA-C-O 118.823 -0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 7' ' ' GLN . 2.7 tp60 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD23 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 61' ' ' VAL . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 67' ' ' VAL . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.973 0.416 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' HA ' ' HB2' ' A' ' 14' ' ' LEU 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.416 ' HB ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 41' ' ' ARG . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 48' ' ' PHE . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 120.276 0.084 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.494 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 53' ' ' LEU . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CH2' HG23 ' A' ' 44' ' ' THR . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' HG22 ' A' ' 37' ' ' THR 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.446 HG21 ' HD1' ' A' ' 45' ' ' TYR . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 44' ' ' THR . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 41' ' ' ARG 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HD1' HG21 ' A' ' 37' ' ' THR . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 9' ' ' PHE . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 6' ' ' VAL . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CD1' HD11 ' A' ' 53' ' ' LEU . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' VAL . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 ' HB ' ' A' ' 61' ' ' VAL . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.516 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 48' ' ' PHE . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 30' ' ' VAL . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.526 0.203 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HG11 ' A' ' 67' ' ' VAL . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' VAL . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.445 HG21 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.446 ' CH2' HG23 ' A' ' 44' ' ' THR . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' SG ' HG21 ' A' ' 56' ' ' ILE . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.415 HG22 ' SG ' ' A' ' 47' ' ' CYS . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 HG13 ' A' ' 67' ' ' VAL . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.686 HG13 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 7' ' ' GLN . 1.4 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' A' ' 53' ' ' LEU . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 14' ' ' LEU . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 10' ' ' VAL . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' HG21 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 9' ' ' PHE . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.503 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG21 ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 121.034 0.445 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 4.7 tp60 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.417 HG12 HD12 ' A' ' 14' ' ' LEU . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 21' ' ' TRP . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CB ' HD23 ' A' ' 53' ' ' LEU . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 48' ' ' PHE . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.453 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.617 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.495 ' CH2' HD23 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 56' ' ' ILE . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.615 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.615 HD12 ' SG ' ' A' ' 47' ' ' CYS . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.507 ' HA ' HG11 ' A' ' 67' ' ' VAL . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 17.8 mm-40 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 47' ' ' CYS . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.591 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 37' ' ' THR . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.639 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.91 0.386 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.531 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 16' ' ' ASN . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' ILE . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 HD22 ' HA ' ' A' ' 12' ' ' ASP . 51.0 m-20 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 13' ' ' ILE . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' THR . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.571 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.267 0.079 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.62 ' CH2' HD23 ' A' ' 46' ' ' LEU . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 56' ' ' ILE . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 44' ' ' THR . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.554 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.62 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.702 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.67 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.702 HD12 ' SG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 5.6 tp60 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.675 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.489 ' CG1' HE22 ' A' ' 25' ' ' GLN . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.489 HE22 ' CG1' ' A' ' 23' ' ' VAL . 7.1 mp0 -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' THR . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.675 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 122.219 1.009 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 56' ' ' ILE . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CD1' HD11 ' A' ' 56' ' ' ILE . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.589 HG23 ' CH2' ' A' ' 21' ' ' TRP . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' HB1' ' A' ' 70' ' ' ALA . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.684 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.576 HD13 HG13 ' A' ' 67' ' ' VAL . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD12 ' SG ' ' A' ' 47' ' ' CYS . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.576 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 121.492 0.663 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.502 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' VAL . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.785 ' CH2' HD23 ' A' ' 46' ' ' LEU . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' A' ' 61' ' ' VAL . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.785 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HB ' HG11 ' A' ' 30' ' ' VAL . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' HD1' HD21 ' A' ' 46' ' ' LEU . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HA ' HG11 ' A' ' 67' ' ' VAL . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' VAL . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.476 ' CH2' HD23 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' SG ' ' A' ' 47' ' ' CYS 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.496 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 67' ' ' VAL . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.645 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 75' ' ' GLU . 3.1 pt-20 . . . . . 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' HD23 ' A' ' 24' ' ' LEU . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 47' ' ' CYS . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 46' ' ' LEU . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' SG ' HG21 ' A' ' 13' ' ' ILE . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 38' ' ' ILE . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 37' ' ' THR . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.667 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 56' ' ' ILE . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG11 ' HB ' ' A' ' 61' ' ' VAL . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.613 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 44' ' ' THR . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.65 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.411 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.65 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.117 0.043 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -179.45 -72.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.904 2.482 . . . . 0.0 112.417 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.2 ptm -64.9 41.9 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.21 2.204 . . . . 0.0 112.455 161.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -115.57 -69.33 0.86 Allowed 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.147 1.379 . . . . 0.0 109.24 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.89 36.17 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.742 -1.224 . . . . 0.0 112.946 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 67' ' ' VAL . 52.9 t -57.17 -42.89 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 129.098 2.959 . . . . 0.0 109.616 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.47 -66.98 0.47 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 123.58 1.657 . . . . 0.0 111.495 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -49.1 -40.83 33.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.672 3.189 . . . . 0.0 113.072 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 53' ' ' LEU . 75.3 t80 -61.88 -56.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.304 0.377 . . . . 0.0 110.227 169.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.81 -46.69 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.94 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.358 0.0 OUTLIER -62.87 -21.34 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 175.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.05 -32.0 71.63 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.092 0.86 . . . . 0.0 111.557 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -81.94 -49.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.264 1.826 . . . . 0.0 109.738 163.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -50.89 54.14 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -156.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.39 -47.74 4.81 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 111.275 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.16 -23.52 61.3 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.556 0.693 . . . . 0.0 111.746 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.69 141.98 2.53 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.643 1.592 . . . . 0.0 113.896 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -175.04 0.87 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 122.735 1.255 . . . . 0.0 113.939 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -165.07 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 111.21 140.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 3.75 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 129.968 3.307 . . . . 0.0 117.384 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.8 m95 -81.44 148.98 29.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.176 1.79 . . . . 0.0 111.255 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.63 148.53 38.68 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 167.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.71 103.92 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.987 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.06 129.34 54.18 Favored 'General case' 0 CA--C 1.492 -1.274 0 CA-C-N 113.1 -1.863 . . . . 0.0 109.718 -173.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -105.27 88.95 2.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.277 9.1 t -131.13 174.15 10.31 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.666 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -125.72 139.47 53.5 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.79 155.56 19.17 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 126.111 1.764 . . . . 0.0 109.809 -174.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -123.14 114.66 20.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.749 1.281 . . . . 0.0 112.897 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.8 t -152.21 153.56 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 126.535 2.397 . . . . 0.0 110.315 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.82 12.93 8.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.375 1.47 . . . . 0.0 112.952 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.78 21.02 5.35 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.385 1.874 . . . . 0.0 110.175 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 12.0 ttpt -128.06 160.43 31.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.772 2.829 . . . . 0.0 108.595 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.36 134.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 84.5 m-85 -116.83 149.15 40.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 127.269 2.228 . . . . 0.0 109.028 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.68 116.08 30.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.103 -0.998 . . . . 0.0 109.71 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.257 15.0 t -79.47 153.89 29.29 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 123.557 1.646 . . . . 0.0 108.738 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -31.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.598 173.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -160.88 142.09 11.82 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.381 -166.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -123.7 130.48 52.7 Favored 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 125.92 2.012 . . . . 0.0 113.295 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -129.43 116.73 19.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 123.735 1.731 . . . . 0.0 108.507 169.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.75 -124.65 31.38 Favored Glycine 0 C--N 1.311 -0.851 0 O-C-N 121.017 -1.052 . . . . 0.0 112.43 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 4.81 50.36 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 0.0 112.018 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 14.6 t -111.1 146.52 36.65 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -144.0 110.01 5.36 Favored 'General case' 0 CA--C 1.498 -1.038 1 C-N-CA 131.793 4.037 . . . . 0.0 100.721 -161.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 124.81 35.7 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.6 m -132.74 158.52 42.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.047 0.539 . . . . 0.0 111.636 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -129.88 155.87 45.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 98.2 m-20 -124.66 -153.66 0.57 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 123.201 1.477 . . . . 0.0 108.538 168.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 73.0 m-20 -76.2 -5.64 47.71 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.43 -36.93 1.43 Allowed 'General case' 0 N--CA 1.435 -1.178 0 C-N-CA 124.421 1.088 . . . . 0.0 112.04 -154.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 174.44 177.14 0.14 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.452 3.501 . . . . 0.0 110.097 -157.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.63 170.49 7.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.645 1.578 . . . . 0.0 111.343 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.92 139.54 29.23 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.058 175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.85 126.93 34.98 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 157.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.43 108.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 160.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.1 m -95.38 96.41 9.1 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.05 -85.59 0.12 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.459 1.505 . . . . 0.0 111.201 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.43 6.17 9.58 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 126.807 2.043 . . . . 0.0 112.423 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -108.37 100.02 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 125.73 1.612 . . . . 0.0 107.621 -166.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.03 130.15 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 123.031 1.396 . . . . 0.0 109.557 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -135.02 85.38 2.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.359 1.464 . . . . 0.0 110.32 -176.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -54.35 123.52 13.16 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 113.088 -1.869 . . . . 0.0 112.889 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -82.31 147.55 28.82 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.331 1.052 . . . . 0.0 109.075 169.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.39 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.42 175.64 13.07 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.687 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.21 -49.43 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.388 167.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.8 p -55.52 -18.49 7.42 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.844 1.258 . . . . 0.0 113.56 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -65.61 -49.59 68.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.004 0.907 . . . . 0.0 110.646 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -28.33 50.1 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -69.48 -44.08 71.87 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.911 -1.118 . . . . 0.0 112.073 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.42 -20.85 59.89 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 123.623 0.577 . . . . 0.0 112.458 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -67.61 -41.81 83.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.434 1.093 . . . . 0.0 109.733 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -59.6 -26.96 65.87 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -176.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -92.97 -11.03 34.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.458 1.503 . . . . 0.0 112.882 172.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 m -131.31 83.91 2.14 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.175 2.19 . . . . 0.0 110.83 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 1.5 mppt? . . . . . 0 C--O 1.274 2.371 0 CA-C-O 112.492 -3.623 . . . . 0.0 114.6 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 116.521 -1.704 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.453 ' HB2' ' H ' ' A' ' 3' ' ' MET . 6.5 m80 -134.13 -91.18 0.35 Allowed 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -150.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.453 ' H ' ' HB2' ' A' ' 2' ' ' HIS . 76.5 mtm -66.85 27.05 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.043 2.537 . . . . 0.0 113.624 172.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.4 m -100.08 -67.87 0.83 Allowed 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 121.8 -0.562 . . . . 0.0 110.649 160.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.7 34.94 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.406 -0.809 . . . . 0.0 111.306 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.602 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.99 -27.48 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.131 1.373 . . . . 0.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 21.6 tp60 -74.72 -63.42 1.25 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.18 -50.95 47.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.807 2.043 . . . . 0.0 110.643 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 53' ' ' LEU . 50.8 t80 -52.93 -54.28 37.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 174.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.5 -49.36 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 118.651 -0.69 . . . . 0.0 112.078 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.37 0.0 OUTLIER -67.08 -18.55 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.5 -27.54 65.29 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 118.748 0.704 . . . . 0.0 112.159 168.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.7 mp -87.01 -34.98 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 128.023 2.529 . . . . 0.0 109.226 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -61.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.035 1.289 . . . . 0.0 112.173 -172.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.18 -23.37 12.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.66 -19.05 26.7 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.367 167.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.18 150.24 1.87 Allowed Glycine 0 C--N 1.349 1.258 0 C-N-CA 125.443 1.496 . . . . 0.0 114.655 -173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 -171.34 0.37 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 124.088 1.899 . . . . 0.0 113.255 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -172.1 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 113.026 -1.897 . . . . 0.0 113.021 134.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.24 -2.15 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.068 1 C-N-CA 132.431 4.292 . . . . 0.0 118.199 172.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.4 m0 -64.53 159.03 22.53 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 123.982 1.849 . . . . 0.0 112.47 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -117.92 124.85 49.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 128.455 2.702 . . . . 0.0 107.665 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -99.93 106.97 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.938 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 -141.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.65 116.97 23.96 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.737 -168.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.31 89.73 4.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 124.138 1.923 . . . . 0.0 108.263 159.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -119.41 -179.5 3.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 110.796 -2.911 . . . . 0.0 106.539 159.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 137.92 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.8 t -131.56 133.8 45.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -163.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 m -105.53 113.53 27.15 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 124.897 1.373 . . . . 0.0 111.516 -160.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.4 t -150.65 138.83 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 125.602 1.561 . . . . 0.0 109.089 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.93 17.8 6.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.996 2.518 . . . . 0.0 115.49 174.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 77.37 25.71 0.73 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.335 2.254 . . . . 0.0 111.312 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 5.3 tttp -132.09 157.22 44.76 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.38 2.672 . . . . 0.0 107.886 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.45 152.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 120.321 -1.487 . . . . 0.0 107.114 167.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -131.47 130.41 42.39 Favored 'General case' 0 CA--C 1.511 -0.538 0 C-N-CA 125.684 1.593 . . . . 0.0 110.78 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -87.15 117.29 25.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.533 -1.354 . . . . 0.0 110.663 -170.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.4 p -83.54 151.65 25.29 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 125.708 1.603 . . . . 0.0 108.482 -169.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.36 -42.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.8 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 26.1 p -151.34 157.94 43.13 Favored 'General case' 0 CA--C 1.481 -1.686 0 O-C-N 125.199 1.562 . . . . 0.0 106.964 -169.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -136.9 138.28 40.52 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-N 112.375 -2.193 . . . . 0.0 110.45 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 ttt-85 -127.67 116.3 20.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 162.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.29 -128.24 35.99 Favored Glycine 0 N--CA 1.435 -1.397 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.579 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 10.46 19.29 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.582 HG23 ' CH2' ' A' ' 21' ' ' TRP . 14.7 t -108.24 145.85 33.7 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -147.69 113.57 5.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 101.258 -3.608 . . . . 0.0 101.258 -159.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -99.55 126.6 45.54 Favored 'General case' 0 N--CA 1.42 -1.97 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.06 -177.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -133.88 159.2 41.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.839 -163.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 20.4 p90 -134.0 159.11 41.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.793 0.837 . . . . 0.0 111.076 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 70.0 m-20 -124.81 -153.38 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 164.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.62 -7.79 52.01 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.193 0.997 . . . . 0.0 113.276 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.92 -32.34 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.287 1.035 . . . . 0.0 112.465 -150.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.7 -174.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.764 2.826 . . . . 0.0 109.974 -163.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 67' ' ' VAL . 7.8 mp -107.46 168.95 8.88 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.232 1.413 . . . . 0.0 112.78 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -148.5 139.99 23.5 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.195 1.798 . . . . 0.0 107.451 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -85.54 137.82 32.62 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 159.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.52 108.04 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 158.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -97.25 102.7 14.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 104.108 -2.553 . . . . 0.0 104.108 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.87 -70.48 0.18 Allowed Glycine 1 N--CA 1.522 4.42 0 C-N-CA 129.435 3.398 . . . . 0.0 106.111 -171.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -157.93 7.0 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 O-C-N 117.999 -3.06 . . . . 0.0 108.41 -163.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -98.97 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 127.111 2.165 . . . . 0.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.05 126.77 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 O-C-N 124.185 0.928 . . . . 0.0 111.146 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -129.23 89.92 2.93 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 109.431 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -58.99 129.77 43.8 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.73 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 144.84 28.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.778 -1.201 . . . . 0.0 108.738 165.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.56 8.69 4.87 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.99 178.02 10.15 Favored 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.68 -49.15 16.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.355 165.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -59.77 -18.94 47.15 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.664 1.586 . . . . 0.0 111.538 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -60.07 -51.25 70.44 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 123.459 0.703 . . . . 0.0 112.565 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.53 -33.12 6.02 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -64.64 -36.84 85.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.305 2.242 . . . . 0.0 113.765 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.73 -25.13 30.83 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.369 0.667 . . . . 0.0 111.726 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.47 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.8 t80 -73.21 -38.84 65.95 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.552 1.158 . . . . 0.0 109.204 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -40.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.912 1.685 . . . . 0.0 114.865 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.22 2.41 56.38 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.398 1.079 . . . . 0.0 112.037 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 m -141.23 79.11 1.67 Allowed 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 126.786 2.035 . . . . 0.0 113.769 -170.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? . . . . . 0 C--O 1.255 1.36 0 C-N-CA 127.626 2.371 . . . . 0.0 115.97 156.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 114.258 -2.782 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.404 ' C ' ' H ' ' A' ' 4' ' ' THR . 38.1 m170 -111.66 -96.11 0.43 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.425 2.375 . . . . 0.0 109.936 -166.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.5 mtm -58.59 29.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.025 3.33 . . . . 0.0 113.364 160.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.5 m -97.15 -68.17 0.81 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.027 1.331 . . . . 0.0 111.367 173.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.48 -36.41 20.58 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.1 p -66.12 -35.85 76.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 123.653 0.781 . . . . 0.0 110.203 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 7.9 tp60 -68.51 -54.34 17.43 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.235 0.54 . . . . 0.0 111.28 -177.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -46.51 -57.68 4.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.979 2.512 . . . . 0.0 111.431 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -53.86 -49.84 67.59 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.893 0.877 . . . . 0.0 110.664 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.4 t -54.61 -48.8 70.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 116.21 -1.852 . . . . 0.0 111.463 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.361 0.0 OUTLIER -65.28 -21.26 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 176.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.53 -38.88 85.88 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.362 0.983 . . . . 0.0 111.476 167.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -76.84 -42.61 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 126.309 1.844 . . . . 0.0 109.072 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -55.2 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.037 1.29 . . . . 0.0 111.839 -160.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -104.68 -39.68 6.27 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -80.02 -14.11 58.8 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.337 0.655 . . . . 0.0 112.079 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.11 152.84 29.75 Favored Glycine 0 N--CA 1.466 0.673 0 CA-C-O 123.837 1.798 . . . . 0.0 115.376 168.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 -178.59 0.35 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 124.179 1.942 . . . . 0.0 111.386 169.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.42 -151.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.952 -1.093 . . . . 0.0 110.05 156.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.34 2.96 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 126.901 2.081 . . . . 0.0 116.131 168.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.491 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.5 m0 -77.55 166.66 22.77 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.994 1.718 . . . . 0.0 112.387 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.08 161.38 27.47 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 161.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.6 t -108.96 105.08 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 N-CA-C 100.906 -3.738 . . . . 0.0 100.906 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.64 142.33 39.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.764 -2.016 . . . . 0.0 109.922 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -115.08 84.29 2.06 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.071 166.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -135.5 178.29 7.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.546 173.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -134.59 141.24 46.58 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 119.697 -1.877 . . . . 0.0 106.526 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 56' ' ' ILE . 2.3 t -118.16 157.85 26.18 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.095 1.358 . . . . 0.0 111.43 -176.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 m -127.56 115.92 19.56 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.312 1.007 . . . . 0.0 112.615 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -153.91 150.54 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 CA-C-O 116.485 -1.721 . . . . 0.0 110.923 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.22 14.63 9.8 Favored 'General case' 0 N--CA 1.502 2.127 1 C-N-CA 134.145 4.978 . . . . 0.0 109.76 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 73.16 32.21 1.32 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.49 2.716 . . . . 0.0 107.955 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -129.13 163.42 25.55 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 128.912 2.885 . . . . 0.0 108.319 176.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.5 t -124.93 139.4 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.817 173.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 85.9 m-85 -126.12 141.43 51.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.188 1.795 . . . . 0.0 109.809 -176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 124.53 40.28 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -176.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 p -76.71 155.18 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.829 1.252 . . . . 0.0 108.41 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.39 -34.03 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 121.896 0.855 . . . . 0.0 113.231 168.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.6 p -160.39 143.1 13.24 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.047 -166.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 140.18 48.44 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.51 -1.677 . . . . 0.0 114.427 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 34.0 ttt180 -142.55 122.25 13.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.193 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 -131.44 22.85 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.273 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.49 1.49 51.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.681 1.192 . . . . 0.0 114.058 168.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.491 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.272 9.0 t -101.47 146.79 27.16 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.532 1.158 . . . . 0.0 111.301 -176.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -149.0 107.48 3.79 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 100.783 -3.784 . . . . 0.0 100.783 -166.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 123.52 27.68 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 175.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.2 m -125.97 165.06 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.051 0.94 . . . . 0.0 110.95 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 21.3 p90 -136.88 154.86 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.2 m-20 -122.63 -154.78 0.62 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 123.085 1.421 . . . . 0.0 108.169 164.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.5 m-20 -75.31 -12.49 60.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.518 1.527 . . . . 0.0 114.537 -176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -118.71 -23.88 6.88 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -166.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 -169.23 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.557 2.743 . . . . 0.0 111.099 -153.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.674 ' CD1' HG13 ' A' ' 67' ' ' VAL . 2.3 mp -123.44 172.16 8.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.792 2.437 . . . . 0.0 112.163 -176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -152.21 133.32 14.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.11 118.9 30.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -90.01 108.96 20.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 164.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 m -99.03 89.95 4.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.11 -70.64 0.61 Allowed Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.401 1.001 . . . . 0.0 112.868 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.42 0.84 1.04 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.909 2.083 . . . . 0.0 111.437 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.2 t -96.37 104.48 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 C-N-CA 127.266 2.226 . . . . 0.0 107.248 -172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -82.49 111.02 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 123.114 1.435 . . . . 0.0 110.399 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -108.13 88.46 2.74 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.727 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.94 120.36 7.29 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.478 1.511 . . . . 0.0 113.231 172.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -83.79 129.89 34.94 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.417 -1.427 . . . . 0.0 108.585 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.63 0.63 1.55 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.09 168.65 26.59 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -173.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -73.2 -50.73 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 111.769 -2.469 . . . . 0.0 112.517 159.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.17 -28.92 12.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.75 1.62 . . . . 0.0 113.86 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -53.22 58.49 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.465 1.106 . . . . 0.0 113.6 172.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.0 -23.82 5.7 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -74.34 -45.12 49.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.617 0.767 . . . . 0.0 112.285 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.37 64.75 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.228 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.79 -44.32 93.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.548 0.69 . . . . 0.0 110.413 172.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -57.91 -34.01 69.37 Favored 'General case' 0 N--CA 1.414 -2.241 0 C-N-CA 126.532 1.933 . . . . 0.0 111.669 -172.398 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.87 -19.13 16.8 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 116.487 -1.721 . . . . 0.0 113.632 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -143.06 121.18 12.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.351 1.86 . . . . 0.0 110.283 -160.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.267 1.992 1 C-N-CA 133.322 4.649 . . . . 0.0 116.761 -158.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -175.55 -86.02 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 119.465 1.029 . . . . 0.0 108.995 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.468 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -55.62 12.63 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.911 2.885 . . . . 0.0 116.986 171.179 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.2 t -115.85 -54.09 2.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.31 1.414 . . . . 0.0 111.644 172.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.78 66.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.508 1.123 . . . . 0.0 110.337 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -56.48 -35.4 44.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 124.104 0.962 . . . . 0.0 110.743 167.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 7' ' ' GLN . 2.7 tp60 -75.8 -55.59 5.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.239 0.472 . . . . 0.0 111.906 -169.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.37 -56.01 5.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.982 2.113 . . . . 0.0 109.952 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 77.7 t80 -59.12 -52.4 65.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.07 -44.15 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.559 0.618 . . . . 0.0 111.578 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.12 -20.63 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.359 1.064 . . . . 0.0 113.864 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.89 -29.64 70.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.545 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -87.11 -47.99 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.594 2.758 . . . . 0.0 109.175 167.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.23 -48.52 23.0 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.165 -0.96 . . . . 0.0 113.285 -150.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.95 -41.65 6.73 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.155 0.982 . . . . 0.0 110.842 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -74.21 -27.22 60.69 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.11 140.72 9.03 Favored Glycine 0 C--N 1.342 0.911 0 C-N-CA 126.086 1.803 . . . . 0.0 112.72 -172.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -178.77 0.1 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.031 -1.276 . . . . 0.0 109.718 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -158.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 125.181 2.419 . . . . 0.0 114.001 153.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.36 7.6 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 128.34 2.656 . . . . 0.0 117.271 171.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' HD23 ' A' ' 46' ' ' LEU . 4.4 m95 -76.28 169.22 18.62 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 128.484 2.713 . . . . 0.0 113.672 164.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.62 163.49 25.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.529 1.932 . . . . 0.0 106.292 159.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.62 106.04 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.826 1 N-CA-C 100.197 -4.001 . . . . 0.0 100.197 169.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.54 143.62 34.39 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 125.363 2.506 . . . . 0.0 109.382 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -116.33 86.48 2.5 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -143.21 177.58 8.31 Favored 'General case' 0 CA--C 1.559 1.303 0 O-C-N 124.883 1.364 . . . . 0.0 111.66 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.7 p -129.33 142.01 50.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.386 1.874 . . . . 0.0 107.492 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.3 160.12 18.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.171 2.589 . . . . 0.0 112.128 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.02 120.14 32.44 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 123.76 0.824 . . . . 0.0 112.985 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 61' ' ' VAL . 97.8 t -154.88 145.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 C-N-CA 125.462 1.505 . . . . 0.0 111.469 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.55 15.18 9.14 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 128.22 2.608 . . . . 0.0 115.221 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 68.68 27.88 5.8 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.742 1.617 . . . . 0.0 111.906 -164.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 162.39 24.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.203 2.601 . . . . 0.0 107.311 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.22 136.6 58.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.721 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.45 144.45 48.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 126.998 2.119 . . . . 0.0 108.557 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -98.79 119.69 37.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 p -75.23 155.24 37.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 126.459 1.904 . . . . 0.0 108.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.12 -33.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.752 0.786 . . . . 0.0 112.716 171.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -161.54 149.08 14.83 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.514 -167.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -130.71 134.49 46.96 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 125.521 1.763 . . . . 0.0 112.337 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 ttt-85 -136.02 115.29 12.52 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.895 1.331 . . . . 0.0 109.762 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.92 -129.48 35.45 Favored Glycine 0 C--N 1.306 -1.12 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.806 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -82.84 0.22 45.03 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.29 9.0 t -100.12 146.47 26.76 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.346 0.594 . . . . 0.0 111.403 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -144.31 109.18 4.97 Favored 'General case' 0 N--CA 1.432 -1.353 0 C-N-CA 131.685 3.994 . . . . 0.0 100.667 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.51 122.77 25.69 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.49 165.45 18.44 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 110.487 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 13.6 p90 -135.22 155.75 50.14 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.528 0.731 . . . . 0.0 111.931 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -115.36 -168.22 1.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 158.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -70.35 -5.91 31.5 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -34.23 4.32 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.659 1.584 . . . . 0.0 112.076 -159.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.06 174.22 0.06 Allowed 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 129.218 3.007 . . . . 0.0 110.747 -161.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 67' ' ' VAL . 7.5 mp -103.74 172.54 6.75 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 123.676 0.79 . . . . 0.0 112.92 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -152.84 133.85 14.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.77 108.07 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.98 110.25 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 m -101.12 96.83 7.48 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.92 -65.37 0.33 Allowed Glycine 0 CA--C 1.544 1.857 0 C-N-CA 125.719 1.628 . . . . 0.0 113.145 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.2 -9.97 0.23 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.27 3.028 . . . . 0.0 112.302 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.48 97.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 126.651 1.98 . . . . 0.0 107.42 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.2 p -75.17 96.11 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.328 1.061 . . . . 0.0 111.018 175.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.9 85.0 4.27 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.216 1.007 . . . . 0.0 109.68 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.76 124.04 17.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.723 2.409 . . . . 0.0 111.501 171.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 55.3 m-85 -93.08 132.42 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 124.769 1.228 . . . . 0.0 111.325 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.82 7.81 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 176.07 9.94 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -85.77 -46.42 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 111.814 -2.448 . . . . 0.0 112.016 166.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 m -63.54 -16.36 60.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.428 1.091 . . . . 0.0 112.954 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 2.2 mtpt -59.46 -48.88 79.93 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 121.487 -0.758 . . . . 0.0 111.07 172.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.97 -26.29 35.65 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -72.29 -39.77 68.04 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.181 0.992 . . . . 0.0 112.106 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.19 55.18 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.778 1.299 . . . . 0.0 112.241 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -63.14 -43.75 97.45 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.512 1.149 . . . . 0.0 111.011 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.32 -38.48 63.25 Favored 'General case' 0 N--CA 1.401 -2.918 0 CA-C-N 113.431 -1.713 . . . . 0.0 113.448 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.27 -16.39 18.52 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.613 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.4 m -138.12 115.53 11.17 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.912 1.685 . . . . 0.0 111.398 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 1 C-N-CA 133.43 4.692 . . . . 0.0 116.488 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' THR . 1.1 p-80 -120.52 -89.06 0.61 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 120.876 1.671 . . . . 0.0 111.353 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.9 mtt -57.51 29.67 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.694 3.197 . . . . 0.0 113.126 158.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' HIS . 6.6 m -96.12 -71.15 0.69 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 117.529 -1.224 . . . . 0.0 110.996 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.81 -35.74 20.49 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 120.627 1.558 . . . . 0.0 112.0 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -35.43 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.314 1.445 . . . . 0.0 109.686 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -67.8 -56.59 8.63 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 110.258 177.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -48.36 -57.38 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 130.247 3.419 . . . . 0.0 111.967 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.91 -47.96 73.7 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.856 0.462 . . . . 0.0 110.924 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HA ' HD13 ' A' ' 38' ' ' ILE . 18.2 t -54.05 -49.58 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.701 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' HA ' ' HB2' ' A' ' 14' ' ' LEU 0.416 0.0 OUTLIER -63.67 -19.91 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 174.611 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -65.3 -50.41 65.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.185 0.594 . . . . 0.0 110.876 169.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.8 mp -71.57 -26.63 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.375 2.27 . . . . 0.0 109.276 175.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -81.98 -47.13 13.06 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -174.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -108.3 -45.75 3.85 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -76.1 -19.44 58.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.943 0.497 . . . . 0.0 110.715 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.06 170.13 35.48 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-O 124.175 1.986 . . . . 0.0 112.873 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -173.25 4.61 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 124.28 1.991 . . . . 0.0 112.782 166.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -164.34 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.287 -2.233 . . . . 0.0 112.501 137.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -47.08 -4.4 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 128.566 2.746 . . . . 0.0 116.464 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 6.0 m95 -65.69 141.91 58.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 123.741 1.734 . . . . 0.0 112.889 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 138.68 31.51 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 127.731 2.412 . . . . 0.0 108.868 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.66 101.3 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.02 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -149.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.98 100.7 6.87 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 111.106 -2.77 . . . . 0.0 106.953 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.77 96.02 3.0 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 111.482 -2.599 . . . . 0.0 106.768 156.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.299 11.5 t -143.08 -169.08 2.95 Favored 'General case' 0 N--CA 1.434 -1.262 0 O-C-N 125.684 1.865 . . . . 0.0 111.18 164.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.8 139.97 52.33 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.0 t -110.87 160.8 16.44 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.34 2.656 . . . . 0.0 112.036 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -125.28 124.43 41.61 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 124.461 1.104 . . . . 0.0 113.388 170.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.9 t -150.09 147.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.439 1.087 . . . . 0.0 109.681 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.64 37.01 27.38 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 127.356 2.262 . . . . 0.0 111.699 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 69.08 26.48 5.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 C-N-CA 127.489 2.315 . . . . 0.0 108.356 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 7.8 tttt -136.04 147.84 48.09 Favored 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 128.298 2.639 . . . . 0.0 107.843 173.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 t -98.06 147.83 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.484 0.714 . . . . 0.0 110.603 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 74.8 m-85 -136.39 138.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.934 2.094 . . . . 0.0 111.717 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -88.0 120.81 29.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.344 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.416 ' HB ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -86.93 150.59 23.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.76 2.024 . . . . 0.0 109.438 -174.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -106.85 -43.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.056 170.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 25.7 p -148.48 144.38 27.33 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.127 -1.397 . . . . 0.0 107.831 -171.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 2.3 ptpp? -100.84 159.08 15.49 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 125.536 1.772 . . . . 0.0 114.1 159.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -132.93 116.09 16.03 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.737 1.256 . . . . 0.0 110.671 144.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.49 -123.19 30.21 Favored Glycine 0 C--N 1.313 -0.712 0 O-C-N 121.516 -0.74 . . . . 0.0 111.802 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.56 7.48 8.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.453 1.101 . . . . 0.0 113.711 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 41' ' ' ARG . 14.7 t -122.99 147.8 46.22 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 39.7 m-85 -150.93 110.81 4.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -162.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -88.78 119.62 29.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.527 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 12.6 m -122.93 176.6 5.92 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.675 1.19 . . . . 0.0 112.215 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 42.5 p90 -140.17 162.43 35.28 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -175.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 72.3 m-20 -135.1 -147.56 0.28 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 125.396 1.685 . . . . 0.0 108.975 167.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 6.9 m-20 -73.98 -30.73 62.65 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.118 -1.614 . . . . 0.0 114.608 -176.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -111.9 -18.01 12.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.081 -161.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.0 -167.79 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.719 1.607 . . . . 0.0 109.636 -155.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 48' ' ' PHE . 79.1 mt -132.02 162.55 30.48 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.276 2.63 . . . . 0.0 109.035 -158.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -146.25 135.99 23.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -84.62 132.26 34.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 165.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mp -106.34 102.09 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 160.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.7 m -109.63 113.9 27.06 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.303 1.041 . . . . 0.0 108.399 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.13 -68.25 0.67 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 125.886 1.708 . . . . 0.0 111.544 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.02 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.09 2.956 . . . . 0.0 111.109 -171.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.31 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 127.118 2.167 . . . . 0.0 107.732 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.87 118.45 23.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 122.93 1.347 . . . . 0.0 111.135 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.77 94.29 4.23 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 126.57 1.948 . . . . 0.0 106.788 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -55.73 131.85 47.71 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 113.686 169.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -97.03 128.82 44.37 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 120.143 -1.598 . . . . 0.0 110.022 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.08 4.58 0.31 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.94 173.25 13.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.31 -46.78 19.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 112.615 -2.084 . . . . 0.0 109.67 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -64.68 -15.94 62.11 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -54.83 42.63 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.13 -34.95 6.59 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.194 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -63.78 -34.83 78.77 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.712 2.005 . . . . 0.0 114.644 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.12 -18.42 27.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.08 1.752 . . . . 0.0 110.927 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 7.0 t80 -79.98 -34.65 38.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.427 -0.796 . . . . 0.0 112.493 173.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -43.11 63.56 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.067 1.747 . . . . 0.0 113.811 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.91 -0.62 54.78 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.922 1.389 . . . . 0.0 113.297 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -138.92 59.55 1.62 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.992 2.117 . . . . 0.0 113.48 -165.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 C-N-CA 130.74 3.616 . . . . 0.0 116.18 158.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.501 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -164.16 -98.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.494 -161.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.8 ptm -53.76 30.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 130.274 3.43 . . . . 0.0 113.645 149.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 2' ' ' HIS . 1.7 m -115.25 -67.44 0.99 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.047 2.539 . . . . 0.0 109.313 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.66 -38.54 23.31 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.978 0.354 . . . . 0.0 110.991 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -65.13 -35.28 75.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 C-N-CA 124.285 1.034 . . . . 0.0 110.39 177.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.494 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -66.49 -53.3 36.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.168 1.387 . . . . 0.0 110.514 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -55.94 -42.4 76.08 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 130.183 3.393 . . . . 0.0 111.787 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 53' ' ' LEU . 64.9 t80 -66.54 -48.87 68.33 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.707 -1.246 . . . . 0.0 110.897 170.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.17 -50.93 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 118.254 -0.879 . . . . 0.0 113.261 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 6.2 m -51.91 -21.71 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.942 1.697 . . . . 0.0 114.746 -176.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -68.44 -55.65 11.11 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.383 2.673 . . . . 0.0 110.163 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 1.5 mp -53.09 -49.57 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.837 1.655 . . . . 0.0 107.558 161.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -61.47 -60.91 2.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.866 -155.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.27 -44.8 4.86 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 126.088 1.755 . . . . 0.0 111.025 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -76.4 -14.53 60.07 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.722 1.209 . . . . 0.0 112.03 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.97 149.45 21.79 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 125.961 1.743 . . . . 0.0 115.15 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.23 -174.67 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.973 1.844 . . . . 0.0 111.984 167.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -56.93 -159.35 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 124.839 2.257 . . . . 0.0 112.071 140.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.2 10.91 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 1 C-N-CA 132.742 4.417 . . . . 0.0 118.631 162.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CH2' HG23 ' A' ' 44' ' ' THR . 7.0 m95 -90.98 155.38 18.76 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.608 1.963 . . . . 0.0 109.548 173.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.73 147.93 30.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 168.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -108.39 104.0 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 -172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.48 109.45 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 111.255 -2.702 . . . . 0.0 110.046 -163.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -91.35 86.67 6.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 124.225 1.964 . . . . 0.0 111.144 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' HG22 ' A' ' 37' ' ' THR 0.282 15.0 t -142.19 -177.55 5.29 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.17 -2.741 . . . . 0.0 110.996 177.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.8 p -137.77 137.67 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.305 1.842 . . . . 0.0 106.6 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -113.52 157.24 22.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 126.858 2.063 . . . . 0.0 110.99 -173.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -122.46 121.07 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -163.01 156.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 C-N-CA 126.721 2.008 . . . . 0.0 110.412 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.06 17.28 3.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 120.8 1.636 . . . . 0.0 111.223 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 61.37 21.2 11.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.665 2.386 . . . . 0.0 112.604 -164.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 11.9 ttpt -127.08 159.23 34.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.469 2.308 . . . . 0.0 108.404 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 t -107.46 140.23 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 120.985 -1.072 . . . . 0.0 108.383 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 77.9 m-85 -114.69 162.36 16.91 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.945 2.098 . . . . 0.0 109.258 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -107.39 126.74 52.86 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 120.159 -1.588 . . . . 0.0 109.514 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.446 HG21 ' HD1' ' A' ' 45' ' ' TYR . 8.9 t -89.52 149.86 22.7 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 123.336 1.541 . . . . 0.0 109.738 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.6 -39.11 7.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.32 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.8 p -163.08 144.97 10.02 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.163 -160.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 15.3 ttpt -123.6 131.96 53.75 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.073 -1.876 . . . . 0.0 113.608 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 44' ' ' THR . 42.4 ttt-85 -125.0 110.77 14.6 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 124.487 2.089 . . . . 0.0 110.582 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.31 -125.6 26.96 Favored Glycine 0 C--N 1.31 -0.883 0 CA-C-N 113.806 -1.543 . . . . 0.0 110.817 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -81.19 -8.53 59.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.469 1.108 . . . . 0.0 111.741 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 41' ' ' ARG 0.29 10.2 t -94.16 149.41 21.26 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 119.36 0.982 . . . . 0.0 111.695 -174.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HD1' HG21 ' A' ' 37' ' ' THR . 38.8 m-85 -143.42 107.7 4.77 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 130.696 3.599 . . . . 0.0 102.351 -164.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.69 127.46 32.82 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.45 170.64 15.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.0 p90 -134.64 156.65 48.37 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 51' ' ' THR . 53.9 m-20 -109.52 -170.96 1.75 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.509 160.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.66 -9.87 59.11 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 151.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 80.6 p -89.57 -32.56 17.07 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -172.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER 163.41 -170.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 128.212 2.605 . . . . 0.0 108.988 -151.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 9' ' ' PHE . 96.5 mt -125.75 166.39 16.89 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.527 2.331 . . . . 0.0 108.645 -171.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.09 158.12 43.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.946 0.899 . . . . 0.0 109.694 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.6 119.11 38.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 157.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.05 113.49 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 m -114.1 121.5 43.99 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.41 -89.12 0.03 OUTLIER Glycine 0 N--CA 1.484 1.862 0 C-N-CA 124.148 0.88 . . . . 0.0 112.25 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -145.15 33.86 1.09 Allowed 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 127.168 2.187 . . . . 0.0 111.046 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -103.11 109.14 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.252 1.821 . . . . 0.0 108.6 175.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.46 115.25 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 122.591 1.186 . . . . 0.0 110.108 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.21 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.325 1.85 . . . . 0.0 108.645 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -58.85 136.78 57.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.876 1.271 . . . . 0.0 114.0 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.03 132.97 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.409 1.084 . . . . 0.0 109.112 167.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.6 -3.94 3.65 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.52 172.04 17.79 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -169.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 6' ' ' VAL . 1.2 t -77.46 -51.21 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.856 158.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 -18.96 44.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.963 1.305 . . . . 0.0 114.331 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -51.54 -59.44 4.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 164.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -19.96 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -43.19 71.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.4 1.08 . . . . 0.0 112.086 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -29.04 60.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.683 1.593 . . . . 0.0 110.867 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.71 -42.7 85.98 Favored 'General case' 0 C--O 1.203 -1.375 0 O-C-N 119.49 -2.006 . . . . 0.0 112.941 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tp -46.73 -37.87 9.11 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 121.063 3.727 . . . . 0.0 121.063 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.58 -12.52 25.56 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.493 1.117 . . . . 0.0 113.261 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -108.61 78.66 1.17 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.651 2.38 . . . . 0.0 108.663 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 1 C--O 1.313 4.437 0 C-N-CA 130.489 3.516 . . . . 0.0 119.749 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 115.791 -2.052 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.16 -94.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 121.754 2.07 . . . . 0.0 112.631 -169.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -60.67 31.53 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 129.988 3.315 . . . . 0.0 116.371 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -104.89 -63.25 1.24 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.962 1.705 . . . . 0.0 112.722 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.49 -42.06 59.62 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.267 1.032 . . . . 0.0 111.876 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.6 p -59.64 -36.85 67.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 127.384 2.274 . . . . 0.0 110.7 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -71.58 -52.49 17.85 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.095 0.958 . . . . 0.0 111.278 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.38 -40.25 61.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.706 2.002 . . . . 0.0 112.347 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CD1' HD11 ' A' ' 53' ' ' LEU . 69.7 t80 -68.11 -52.12 38.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.112 0.965 . . . . 0.0 112.33 167.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' VAL . 7.9 t -51.1 -50.99 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 125.091 1.356 . . . . 0.0 113.884 -172.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.384 0.0 OUTLIER -62.79 -18.1 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -178.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -64.85 -35.35 80.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.372 1.469 . . . . 0.0 112.171 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.5 mp -80.76 -52.18 14.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 127.606 2.362 . . . . 0.0 107.509 163.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -60.17 4.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -157.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.78 -56.46 3.18 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.345 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.98 -20.14 63.31 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 124.943 1.402 . . . . 0.0 108.666 -157.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.69 146.59 2.68 Favored Glycine 0 C--N 1.347 1.152 0 C-N-CA 127.998 2.714 . . . . 0.0 113.296 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 179.24 6.64 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-O 124.727 2.203 . . . . 0.0 115.744 -167.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -162.53 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 110.644 -2.98 . . . . 0.0 115.659 135.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -59.45 11.7 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 130.136 3.374 . . . . 0.0 115.776 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.6 m95 -101.38 147.64 26.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 127.805 2.442 . . . . 0.0 112.617 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -86.9 150.03 24.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.574 1.55 . . . . 0.0 107.94 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -114.45 98.65 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 -149.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -128.98 121.27 27.64 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.128 -158.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -105.92 84.93 2.13 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.317 6.4 t -128.18 -172.88 2.8 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 127.027 2.131 . . . . 0.0 111.017 168.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -136.27 138.36 41.7 Favored 'General case' 0 CA--C 1.514 -0.429 0 O-C-N 119.412 -2.055 . . . . 0.0 106.394 172.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 157.57 16.69 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 128.932 2.893 . . . . 0.0 109.929 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -120.63 121.25 37.92 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.588 0.555 . . . . 0.0 111.566 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 ' HB ' ' A' ' 61' ' ' VAL . 73.0 t -152.65 148.88 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 125.704 1.877 . . . . 0.0 110.634 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 60.54 16.13 6.22 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.732 2.413 . . . . 0.0 113.524 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 73.84 9.65 4.77 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.947 2.499 . . . . 0.0 112.619 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -102.99 162.38 12.98 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.223 1.809 . . . . 0.0 107.439 167.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.91 140.42 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 124.195 0.998 . . . . 0.0 108.83 168.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -124.38 138.43 54.37 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 126.515 1.926 . . . . 0.0 110.219 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -97.12 125.38 41.57 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.435 -0.791 . . . . 0.0 109.022 -167.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 p -85.06 147.73 26.51 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.903 1.681 . . . . 0.0 107.892 -167.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.35 -36.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 O-C-N 124.703 1.252 . . . . 0.0 110.773 168.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -158.4 144.67 17.19 Favored 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -166.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -115.52 152.49 32.91 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 161.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 44' ' ' THR . 21.8 ttt180 -133.39 120.35 20.83 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 160.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.07 -126.2 22.89 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 120.314 -1.491 . . . . 0.0 112.476 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.05 16.57 17.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 125.954 1.62 . . . . 0.0 112.964 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.4 t -116.18 146.78 42.03 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.695 0.622 . . . . 0.0 112.321 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -146.58 110.24 4.89 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 100.487 -3.894 . . . . 0.0 100.487 -164.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.516 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.18 125.61 29.61 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 172.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 m -130.49 172.23 12.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.145 0.978 . . . . 0.0 111.592 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CB ' HD23 ' A' ' 53' ' ' LEU . 30.4 p90 -142.2 153.31 43.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -122.99 -158.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.739 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -79.18 -0.56 32.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 125.684 1.594 . . . . 0.0 115.241 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p -130.18 -30.3 1.97 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.199 1.799 . . . . 0.0 113.301 -157.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.271 0.3 OUTLIER 166.05 -173.69 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 127.242 2.217 . . . . 0.0 110.269 -149.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 48' ' ' PHE . 82.4 mt -129.17 166.31 19.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.738 2.415 . . . . 0.0 108.721 -165.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.72 132.68 12.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.9 104.51 16.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.69 114.89 25.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.0 m -114.18 105.43 13.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.47 -96.67 0.21 Allowed Glycine 0 CA--C 1.534 1.255 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -165.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.55 15.66 4.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.242 1.417 . . . . 0.0 111.533 174.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.1 104.25 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 30' ' ' VAL . 13.5 p -85.73 111.44 20.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 123.899 1.809 . . . . 0.0 110.797 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.62 89.2 3.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 123.111 1.434 . . . . 0.0 109.998 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 ptmt -60.18 132.43 53.89 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 122.622 1.201 . . . . 0.0 113.767 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.89 141.43 28.83 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.844 -1.785 . . . . 0.0 108.898 170.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.07 -7.93 45.24 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.063 -1.023 . . . . 0.0 113.537 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.37 170.54 21.67 Favored 'General case' 0 CA--C 1.469 -2.145 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -167.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -82.35 -40.41 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 CA-C-N 110.909 -2.859 . . . . 0.0 112.357 169.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 p -55.53 -34.54 64.76 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.137 0.426 . . . . 0.0 112.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.45 -48.54 71.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.223 -0.923 . . . . 0.0 112.966 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.56 64.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 124.418 1.073 . . . . 0.0 113.406 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -73.19 -42.43 62.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 122.469 1.128 . . . . 0.0 110.536 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.81 -21.37 60.99 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 116.39 -1.767 . . . . 0.0 111.6 173.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.51 -45.81 78.28 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 125.114 1.509 . . . . 0.0 111.997 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -31.74 11.07 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.78 -6.65 16.66 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 171.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.4 m -137.4 114.45 10.73 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.254 1.021 . . . . 0.0 110.247 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 6.8 mptt . . . . . 0 C--O 1.251 1.183 1 C-N-CA 131.792 4.037 . . . . 0.0 114.52 -167.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -179.94 -87.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 129.577 3.151 . . . . 0.0 105.853 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.63 34.67 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.643 2.777 . . . . 0.0 114.024 169.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.79 -66.1 1.12 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 126.18 1.792 . . . . 0.0 111.868 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.65 -37.01 43.07 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.745 -0.597 . . . . 0.0 111.404 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HG11 ' A' ' 67' ' ' VAL . 5.4 p -54.09 -38.33 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.178 1.391 . . . . 0.0 111.25 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -80.55 -55.7 4.68 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.627 0.771 . . . . 0.0 110.63 -166.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.59 -47.46 58.09 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.006 1.322 . . . . 0.0 112.4 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.51 -54.64 43.51 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' VAL . 18.8 t -51.67 -52.72 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-O 117.316 -1.326 . . . . 0.0 111.742 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -62.99 -15.72 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 117.171 2.286 . . . . 0.0 117.171 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.3 -41.51 96.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.57 0.623 . . . . 0.0 110.699 165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.445 HG21 ' SG ' ' A' ' 39' ' ' CYS . 3.0 mp -81.05 -30.46 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 128.786 2.835 . . . . 0.0 110.541 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -56.02 3.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.556 1.526 . . . . 0.0 112.259 -168.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -101.5 -46.24 5.04 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 123.832 0.853 . . . . 0.0 111.02 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -74.38 -20.57 60.03 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 118.84 0.746 . . . . 0.0 112.287 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.57 160.92 36.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 127.151 2.31 . . . . 0.0 115.307 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -179.63 0.04 OUTLIER 'General case' 0 CA--C 1.585 2.293 0 O-C-N 120.433 -1.628 . . . . 0.0 112.97 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.506 14.6 mmm180 -42.4 -167.01 0.0 OUTLIER 'General case' 0 C--N 1.395 2.577 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 128.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -0.08 0.01 OUTLIER 'General case' 0 CA--C 1.617 3.537 0 N-CA-C 119.612 3.189 . . . . 0.0 119.612 168.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.446 ' CH2' HG23 ' A' ' 44' ' ' THR . 2.9 m95 -61.93 166.33 4.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.298 -2.126 . . . . 0.0 115.922 165.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.08 160.68 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.814 1.246 . . . . 0.0 107.992 154.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.91 105.79 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 166.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.33 145.49 43.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -118.71 86.51 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 124.403 2.049 . . . . 0.0 111.975 160.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -123.64 -177.65 3.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.162 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.1 p -129.96 164.62 23.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' SG ' HG21 ' A' ' 56' ' ' ILE . 12.1 t -137.81 156.18 48.22 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.031 1.733 . . . . 0.0 111.68 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -127.23 118.49 24.37 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -156.09 148.89 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 113.115 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 73.8 16.98 3.68 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.02 2.928 . . . . 0.0 113.646 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.53 34.26 12.76 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.994 1.318 . . . . 0.0 110.208 -164.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -136.69 156.75 48.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.004 2.122 . . . . 0.0 106.449 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -104.52 148.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.7 149.64 50.6 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.106 1.363 . . . . 0.0 108.459 168.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.82 130.83 49.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.521 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.415 HG22 ' SG ' ' A' ' 47' ' ' CYS . 21.1 p -85.21 154.94 21.65 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.329 1.452 . . . . 0.0 108.769 -168.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -115.2 -33.08 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 122.658 1.218 . . . . 0.0 112.766 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 13' ' ' ILE . 5.9 p -160.88 146.84 14.74 Favored 'General case' 0 CA--C 1.482 -1.661 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.526 -165.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -124.63 133.39 53.26 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.358 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -139.38 118.77 12.87 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 124.786 2.232 . . . . 0.0 107.28 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.16 -132.67 42.66 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.999 -173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.52 1.79 36.13 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 125.282 1.225 . . . . 0.0 113.514 172.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 7.9 t -97.52 153.39 18.18 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 122.258 1.028 . . . . 0.0 110.564 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -149.16 107.86 3.84 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.244 4.218 . . . . 0.0 102.391 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -78.81 130.8 36.11 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.9 m -133.11 172.06 13.16 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.467 0.576 . . . . 0.0 111.623 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 40.5 p90 -141.62 156.45 45.67 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -119.9 -162.05 0.91 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.465 0.706 . . . . 0.0 110.043 157.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.93 -27.55 66.86 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 165.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 -26.34 13.04 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.464 -148.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 162.89 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 129.639 3.175 . . . . 0.0 109.808 -161.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 HG13 ' A' ' 67' ' ' VAL . 8.3 mp -99.71 171.17 8.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.895 173.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -145.87 133.64 21.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.192 0.997 . . . . 0.0 108.897 171.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.46 132.36 34.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 161.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.1 mp -102.56 111.94 34.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 161.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -104.72 94.31 5.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.76 -70.38 0.56 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.518 1.056 . . . . 0.0 111.849 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.9 6.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.071 2.148 . . . . 0.0 110.226 -164.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.63 105.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 127.399 2.28 . . . . 0.0 108.07 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.22 118.11 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.349 0.595 . . . . 0.0 111.521 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.79 89.24 3.09 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 125.185 1.394 . . . . 0.0 109.03 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -60.83 117.31 5.25 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 112.8 -2.0 . . . . 0.0 112.515 173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.11 140.31 40.21 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.725 -1.235 . . . . 0.0 109.751 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.82 8.55 1.15 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 169.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 175.39 12.77 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 103.204 -2.887 . . . . 0.0 103.204 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.686 HG13 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -77.89 -47.4 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 112.834 -1.985 . . . . 0.0 111.355 158.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -20.8 21.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.167 1.787 . . . . 0.0 112.736 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.99 -46.09 82.87 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.65 -32.67 30.38 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.14 -32.95 72.65 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.36 2.264 . . . . 0.0 113.9 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.45 -15.08 31.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.68 1.592 . . . . 0.0 112.547 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -84.72 -20.32 31.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 124.431 2.062 . . . . 0.0 110.302 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -30.05 66.39 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 117.582 -3.199 . . . . 0.0 113.369 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.96 -0.86 57.13 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.642 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 m -143.16 118.14 10.02 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 123.465 1.602 . . . . 0.0 114.466 -170.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.671 1 C-N-CA 132.118 4.167 . . . . 0.0 119.652 170.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -151.67 -90.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.807 1.243 . . . . 0.0 112.14 -173.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -60.25 30.73 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 129.768 3.227 . . . . 0.0 115.634 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 m -111.32 -62.21 1.58 Allowed 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 126.191 1.796 . . . . 0.0 111.123 -172.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -85.22 -43.75 13.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.33 0.514 . . . . 0.0 111.728 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.49 -35.45 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.885 1.274 . . . . 0.0 110.802 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 7' ' ' GLN . 1.4 tp60 -68.66 -52.73 27.93 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.935 1.694 . . . . 0.0 113.084 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.64 -46.12 91.13 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 128.339 2.656 . . . . 0.0 111.537 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' A' ' 53' ' ' LEU . 29.0 t80 -60.26 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.196 0.599 . . . . 0.0 110.547 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 14' ' ' LEU . 7.2 t -51.34 -48.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 117.145 -1.407 . . . . 0.0 111.88 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 78.4 t -62.47 -22.44 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 CA-C-N 120.219 1.372 . . . . 0.0 113.532 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -68.29 -33.29 74.08 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.666 1.586 . . . . 0.0 112.254 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 ' SG ' ' A' ' 39' ' ' CYS . 2.2 mp -84.52 -19.75 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 127.592 2.357 . . . . 0.0 111.384 170.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -86.1 -66.89 0.85 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.229 1.412 . . . . 0.0 114.804 -168.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -108.33 -38.54 5.7 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 126.997 2.119 . . . . 0.0 109.241 -169.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -73.57 -29.88 62.68 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 117.785 -1.103 . . . . 0.0 108.507 163.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.17 147.23 1.19 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 123.275 1.486 . . . . 0.0 113.477 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.33 -175.35 0.08 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.064 2.146 . . . . 0.0 115.079 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -45.4 -163.44 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 125.135 2.398 . . . . 0.0 111.803 137.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.42 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.233 1 C-N-CA 132.429 4.292 . . . . 0.0 116.45 -179.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.7 m95 -64.24 164.32 11.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.562 1.545 . . . . 0.0 114.099 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.04 148.49 25.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.221 -1.808 . . . . 0.0 107.805 165.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.6 t -109.59 101.6 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 CA-C-O 126.72 3.152 . . . . 0.0 104.736 -163.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.88 111.15 13.82 Favored 'General case' 0 N--CA 1.426 -1.643 1 CA-C-N 108.187 -4.097 . . . . 0.0 112.582 -173.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.72 88.75 4.71 Favored 'General case' 0 N--CA 1.385 -3.722 0 C-N-CA 127.025 2.13 . . . . 0.0 108.282 167.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.342 13.9 t -111.54 -178.7 3.51 Favored 'General case' 0 CA--C 1.562 1.41 1 CA-C-N 107.768 -4.287 . . . . 0.0 114.059 157.233 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -130.53 140.32 50.48 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 117.522 -3.236 . . . . 0.0 108.173 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -123.43 142.77 50.65 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -118.07 106.25 12.69 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 125.084 1.49 . . . . 0.0 109.555 -167.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.2 t -151.23 149.04 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 126.683 1.993 . . . . 0.0 110.823 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 70.79 19.21 5.98 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.399 1.48 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 67.12 15.59 10.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.231 2.212 . . . . 0.0 112.142 -171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -121.38 159.39 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 128.309 2.644 . . . . 0.0 106.274 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.28 134.64 65.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -118.67 161.66 19.72 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 127.61 2.364 . . . . 0.0 108.968 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -112.61 121.7 45.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.333 -0.854 . . . . 0.0 110.24 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 p -79.08 150.68 31.77 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.997 1.719 . . . . 0.0 106.941 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 10' ' ' VAL . 1.8 mt -109.27 -41.48 4.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 122.806 1.289 . . . . 0.0 110.425 171.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' SG ' HG21 ' A' ' 13' ' ' ILE . 19.9 p -148.61 148.05 29.68 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.667 -169.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 42' ' ' GLY . 1.8 tmtp? -116.4 142.53 46.73 Favored 'General case' 0 N--CA 1.407 -2.58 0 O-C-N 125.562 1.789 . . . . 0.0 110.331 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 20.5 ttt-85 -142.35 110.42 5.94 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 123.75 1.738 . . . . 0.0 109.003 167.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 58.7 -119.29 16.98 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.471 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 5.83 10.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.277 10.9 t -128.49 155.56 44.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -169.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 48.0 m-85 -150.47 105.71 3.35 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 130.296 3.439 . . . . 0.0 102.882 -160.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -94.11 126.05 39.11 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 113.136 -1.847 . . . . 0.0 106.272 -176.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -131.92 172.34 12.46 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.471 1.109 . . . . 0.0 110.717 -165.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -136.81 160.13 39.79 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -142.72 -152.0 0.39 Allowed 'General case' 0 CA--C 1.483 -1.61 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.605 170.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -15.44 60.43 Favored 'General case' 0 N--CA 1.426 -1.645 0 C-N-CA 116.688 -2.005 . . . . 0.0 110.447 -148.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -135.9 -26.59 1.18 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 129.348 3.059 . . . . 0.0 112.349 -149.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.95 -171.5 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.324 2.65 . . . . 0.0 110.095 -150.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 9' ' ' PHE . 94.8 mt -131.48 165.12 24.26 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.734 2.414 . . . . 0.0 108.942 -156.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -148.06 145.32 28.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.503 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -86.16 138.15 32.11 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.153 152.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.75 99.19 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 151.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.7 m -107.24 111.85 24.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.3 15.74 17.17 Favored Glycine 0 CA--C 1.543 1.813 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 85.35 24.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 128.359 2.664 . . . . 0.0 111.061 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.6 t -93.9 110.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.85 2.46 . . . . 0.0 106.864 160.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.12 132.42 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.647 1.217 . . . . 0.0 110.082 166.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.03 85.8 1.95 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.898 1.279 . . . . 0.0 108.979 -175.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.09 124.45 19.99 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.386 1.474 . . . . 0.0 113.487 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 61.9 m-85 -90.79 132.24 35.98 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.413 1.085 . . . . 0.0 109.784 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -5.09 5.51 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.04 172.86 17.38 Favored 'General case' 0 CA--C 1.472 -2.048 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 -166.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG21 ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -87.93 -41.35 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.371 0 CA-C-N 111.875 -2.42 . . . . 0.0 111.013 178.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.1 p -58.23 -23.9 57.45 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.5 mmpt? -59.03 -49.91 76.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.73 69.69 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.434 1.084 . . . . 0.0 111.6 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -62.91 -43.26 99.27 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.756 1.622 . . . . 0.0 111.188 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.39 -16.41 60.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.575 1.15 . . . . 0.0 113.605 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 17.3 t80 -83.75 -36.09 23.9 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.088 -1.008 . . . . 0.0 109.84 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.35 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.25 0.9 OUTLIER -80.54 -7.78 59.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.182 0.993 . . . . 0.0 110.965 174.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -132.66 70.74 1.47 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.403 1.881 . . . . 0.0 111.76 -163.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.292 0.5 OUTLIER . . . . . 0 C--O 1.282 2.787 0 C-N-CA 128.726 2.81 . . . . 0.0 113.736 165.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.25 -72.61 0.16 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.491 2.316 . . . . 0.0 105.713 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.27 34.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.265 3.026 . . . . 0.0 115.483 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -109.38 -67.1 1.01 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.179 1.391 . . . . 0.0 112.67 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.56 -38.18 55.4 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.536 1.516 . . . . 0.0 112.108 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -66.5 -27.37 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.453 1.901 . . . . 0.0 112.397 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 4.7 tp60 -68.63 -51.9 37.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.962 0.905 . . . . 0.0 112.19 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.45 -51.73 68.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 130.724 3.61 . . . . 0.0 112.788 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -56.48 -47.67 78.72 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG12 HD12 ' A' ' 14' ' ' LEU . 23.0 t -55.25 -59.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 116.232 -1.842 . . . . 0.0 113.465 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 26.9 m -57.59 -25.44 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-N 120.319 1.418 . . . . 0.0 113.985 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.83 -49.75 71.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.253 1.021 . . . . 0.0 111.676 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.9 -24.74 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 125.894 1.678 . . . . 0.0 109.784 172.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 mt -86.42 -63.06 1.37 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.93 -34.09 13.92 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.73 2.012 . . . . 0.0 109.91 -172.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -97.36 -21.22 17.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.011 0.924 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.49 155.75 7.45 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 125.799 1.666 . . . . 0.0 115.819 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -177.21 3.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.466 1.507 . . . . 0.0 113.828 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -158.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 125.111 2.386 . . . . 0.0 111.778 137.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.88 5.51 0.22 Allowed 'General case' 0 CA--C 1.581 2.162 0 C-N-CA 128.453 2.701 . . . . 0.0 115.324 -167.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 39' ' ' CYS . 4.2 m95 -74.68 157.55 35.13 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 124.626 2.155 . . . . 0.0 114.161 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 25.8 t70 -109.1 126.78 53.55 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 112.597 -2.092 . . . . 0.0 106.723 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.5 104.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 C-N-CA 126.9 2.08 . . . . 0.0 108.78 -156.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -129.49 144.48 51.27 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 128.381 3.551 . . . . 0.0 109.592 -159.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -113.94 89.71 3.16 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.881 -0.512 . . . . 0.0 110.639 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -131.46 -178.37 4.82 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 127.723 2.409 . . . . 0.0 108.82 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.3 p -143.31 140.16 30.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.2 t -133.13 128.02 35.19 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.917 1.342 . . . . 0.0 114.429 -173.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.7 m -94.49 112.01 23.77 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 112.159 -2.291 . . . . 0.0 111.182 -167.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.3 t -151.15 152.02 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 127.02 2.128 . . . . 0.0 108.863 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.76 17.17 5.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.799 -1.813 . . . . 0.0 113.478 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 67.7 25.17 8.19 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.914 1.685 . . . . 0.0 111.016 -170.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -137.93 154.71 49.38 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.305 2.642 . . . . 0.0 110.264 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -103.73 149.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.448 -2.033 . . . . 0.0 108.698 165.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.97 144.22 48.61 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 125.934 1.693 . . . . 0.0 109.454 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.0 120.75 35.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.048 1.295 . . . . 0.0 112.012 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 p -77.66 156.91 30.43 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.503 1.521 . . . . 0.0 107.329 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -119.19 -41.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 C-N-CA 124.419 1.088 . . . . 0.0 110.048 167.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 21' ' ' TRP . 27.6 p -143.7 150.42 38.65 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -172.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -109.84 154.11 23.48 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 153.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 35.8 ttt180 -138.08 121.26 16.86 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.485 1.612 . . . . 0.0 107.434 161.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.08 -127.48 38.29 Favored Glycine 0 C--N 1.309 -0.929 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.44 -176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.6 1.88 43.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.186 0.594 . . . . 0.0 112.429 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 21' ' ' TRP . 15.1 t -114.83 146.42 41.08 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.929 0.892 . . . . 0.0 111.835 -167.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 40' ' ' LYS . 23.8 m-85 -143.96 111.38 5.94 Favored 'General case' 0 CA--C 1.487 -1.449 0 N-CA-C 100.623 -3.843 . . . . 0.0 100.623 -158.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -92.67 126.21 37.65 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.337 -176.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 m -129.33 172.87 11.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.035 -164.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CB ' HD23 ' A' ' 53' ' ' LEU . 17.9 p90 -136.55 157.88 45.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -118.04 -164.94 1.05 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 113.694 -1.594 . . . . 0.0 106.764 164.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -68.08 -21.37 64.98 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 156.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -91.66 -31.99 15.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 123.582 0.753 . . . . 0.0 112.845 -161.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 162.07 -159.01 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 128.568 2.747 . . . . 0.0 106.371 -155.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 48' ' ' PHE . 95.5 mt -128.79 162.15 28.1 Favored 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 127.643 2.377 . . . . 0.0 108.733 -173.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -143.32 148.23 35.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 175.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 46' ' ' LEU . . . -96.22 121.04 37.58 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 162.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.06 101.0 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -91.39 87.39 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.52 -76.8 0.64 Allowed Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.403 1.001 . . . . 0.0 112.528 -173.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -138.75 9.58 2.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.139 1.775 . . . . 0.0 112.188 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.91 103.07 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 C-N-CA 125.566 1.546 . . . . 0.0 108.024 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 p -82.27 121.98 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.66 0.743 . . . . 0.0 110.269 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -120.66 102.34 8.34 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.369 1.068 . . . . 0.0 109.563 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.93 125.03 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 126.173 1.789 . . . . 0.0 114.29 161.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.38 134.08 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.117 162.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.83 -1.34 3.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.62 176.83 11.93 Favored 'General case' 0 CA--C 1.488 -1.421 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 -173.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -83.35 -45.02 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 CA-C-N 112.227 -2.26 . . . . 0.0 111.899 165.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -61.37 -22.81 65.3 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.291 -0.881 . . . . 0.0 112.879 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -58.87 -45.27 90.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -36.22 64.47 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.729 0.776 . . . . 0.0 111.291 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -63.49 -34.42 77.73 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 120.265 -1.522 . . . . 0.0 113.81 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.29 -12.98 53.7 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.131 1.372 . . . . 0.0 112.723 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.0 t80 -86.63 -33.62 20.07 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 125.982 1.713 . . . . 0.0 111.433 169.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -26.24 64.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.549 1.939 . . . . 0.0 114.721 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -93.18 1.61 57.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.741 1.616 . . . . 0.0 113.036 175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 76' ' ' THR . 5.3 t -160.02 97.76 1.29 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.729 1.611 . . . . 0.0 111.054 -174.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.286 3.021 1 C-N-CA 134.577 5.151 . . . . 0.0 113.734 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.7 p80 -165.86 -92.77 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 121.481 1.946 . . . . 0.0 112.863 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.64 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 54.6 mtt -66.41 34.55 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 129.723 3.209 . . . . 0.0 114.01 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.23 -66.57 1.07 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 124.93 1.292 . . . . 0.0 110.426 175.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.94 -48.68 65.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.912 1.339 . . . . 0.0 109.773 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.1 t -52.83 -42.81 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 128.361 2.665 . . . . 0.0 110.476 168.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.26 -55.9 15.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.986 1.266 . . . . 0.0 112.155 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.33 -42.46 70.21 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.489 2.316 . . . . 0.0 113.22 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.453 ' CE2' ' HD2' ' A' ' 71' ' ' ARG . 21.3 t80 -60.34 -52.63 64.42 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.105 0.962 . . . . 0.0 111.083 167.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.37 -52.47 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.628 0.771 . . . . 0.0 111.567 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.411 0.0 OUTLIER -57.67 -17.78 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 177.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.91 -59.62 4.97 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 119.2 0.909 . . . . 0.0 111.648 165.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.617 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.4 mp -59.18 -48.77 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -55.23 20.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.442 -156.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.26 -44.57 4.51 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.084 0.953 . . . . 0.0 110.784 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.96 -19.55 60.63 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.654 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.16 146.84 3.03 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.012 1.291 . . . . 0.0 113.557 -172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.96 -172.6 1.37 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.925 1.822 . . . . 0.0 113.982 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.11 -152.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.639 -1.288 . . . . 0.0 111.062 151.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -44.03 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.879 2.472 . . . . 0.0 117.105 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.495 ' CH2' HD23 ' A' ' 46' ' ' LEU . 7.0 m95 -76.47 151.32 36.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.22 1.408 . . . . 0.0 112.239 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -88.45 152.81 21.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.321 -1.763 . . . . 0.0 107.139 168.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -108.09 101.93 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.179 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 -167.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 39' ' ' CYS . 4.0 mm? -124.47 102.04 7.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.222 -2.717 . . . . 0.0 108.553 -168.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -83.78 88.3 7.09 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 111.491 -2.595 . . . . 0.0 108.418 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.336 14.6 t -136.35 -173.35 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.093 177.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.0 p -141.47 137.18 31.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 56' ' ' ILE . 42.3 t -110.86 142.72 42.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.628 1.171 . . . . 0.0 110.343 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 125.35 46.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 125.06 1.475 . . . . 0.0 112.579 171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -160.8 152.8 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 126.127 2.142 . . . . 0.0 109.968 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.79 19.22 8.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 119.635 -1.915 . . . . 0.0 111.558 170.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 69.53 21.75 6.62 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.878 2.071 . . . . 0.0 111.039 -174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 11.5 ttpt -135.4 155.45 50.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.988 2.115 . . . . 0.0 109.912 -176.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t -114.07 128.58 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 O-C-N 120.782 -1.199 . . . . 0.0 109.134 171.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 88.2 m-85 -113.44 142.36 46.0 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 128.101 2.561 . . . . 0.0 110.521 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -98.6 119.86 38.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.492 -0.755 . . . . 0.0 112.15 -175.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -99.3 141.89 31.49 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 126.17 1.788 . . . . 0.0 110.244 -168.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.7 -38.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 124.945 1.298 . . . . 0.0 112.051 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' H ' ' A' ' 24' ' ' LEU . 3.2 p -152.89 151.38 30.3 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 112.702 -2.045 . . . . 0.0 109.089 -167.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 150.27 48.86 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 165.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -137.72 116.14 11.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 123.892 1.806 . . . . 0.0 108.813 167.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.79 -133.45 40.78 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 120.652 -1.28 . . . . 0.0 112.177 -174.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.28 9.53 8.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' CH2' ' A' ' 21' ' ' TRP . 8.8 t -116.6 141.55 48.05 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 125.668 1.855 . . . . 0.0 112.995 -176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . 0.363 15.3 m-85 -147.57 103.64 3.55 Favored 'General case' 0 CA--C 1.448 -2.97 1 N-CA-C 98.668 -4.567 . . . . 0.0 98.668 -150.465 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -87.89 132.89 34.04 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 127.916 3.26 . . . . 0.0 107.655 -177.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.615 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -135.58 175.12 9.88 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.736 1.614 . . . . 0.0 111.682 -171.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 41.1 p90 -133.67 157.47 45.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 125.484 1.513 . . . . 0.0 113.111 176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 70.0 m-20 -124.84 -150.8 0.46 Allowed 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.581 1.175 . . . . 0.0 109.645 150.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -63.84 -30.21 71.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 123.6 1.666 . . . . 0.0 115.172 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 p -111.49 -25.02 9.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.511 -143.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 163.78 -174.77 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.895 2.878 . . . . 0.0 109.141 -150.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 67' ' ' VAL . 55.3 mt -125.18 167.36 14.94 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 128.118 2.567 . . . . 0.0 109.929 -167.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.87 148.61 34.13 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.51 105.04 13.17 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 120.52 -1.363 . . . . 0.0 108.23 166.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.615 HD12 ' SG ' ' A' ' 47' ' ' CYS . 7.5 mt -85.52 102.52 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.7 m -100.44 102.36 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.783 1.633 . . . . 0.0 106.867 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.67 -94.74 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.56 4.82 8.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.495 1.918 . . . . 0.0 110.068 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.55 93.9 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.612 1.565 . . . . 0.0 108.368 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.83 86.71 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 124.404 1.082 . . . . 0.0 109.624 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 90.57 7.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -58.81 137.27 57.81 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 123.024 1.392 . . . . 0.0 113.124 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -98.47 144.66 27.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.335 1.454 . . . . 0.0 108.0 165.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.99 -13.75 60.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.88 164.79 30.02 Favored 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 -166.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -74.21 -42.09 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 CA-C-N 112.11 -2.314 . . . . 0.0 110.438 171.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -67.71 -20.4 65.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.205 -1.559 . . . . 0.0 113.149 -174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.67 -45.11 90.09 Favored 'General case' 0 C--O 1.226 -0.182 0 O-C-N 120.745 -1.222 . . . . 0.0 113.119 171.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -61.79 -26.41 68.08 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 2.7 tpm_? -72.74 -31.78 65.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 124.881 1.273 . . . . 0.0 112.225 -174.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.11 31.78 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.622 1.826 . . . . 0.0 110.717 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.42 -47.27 82.2 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.584 1.154 . . . . 0.0 110.534 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.09 -32.99 70.3 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.28 4.92 39.69 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.2 m -127.83 94.61 3.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.434 1.494 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 C--O 1.262 1.762 0 O-C-N 126.77 2.543 . . . . 0.0 116.982 177.215 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 119.763 -0.161 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' CD2' ' H ' ' A' ' 3' ' ' MET . 1.0 OUTLIER 172.27 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.784 1.634 . . . . 0.0 108.904 -171.029 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.49 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 9.3 ptm -56.27 6.45 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 130.587 3.555 . . . . 0.0 115.716 175.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m -100.97 -69.91 0.76 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 168.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.09 -53.44 58.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.96 0.904 . . . . 0.0 112.4 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.507 ' HA ' HG11 ' A' ' 67' ' ' VAL . 64.4 t -65.38 -33.74 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.695 1.998 . . . . 0.0 110.199 -175.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 17.8 mm-40 -77.72 -62.85 1.53 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -42.17 -44.6 3.77 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 127.032 2.133 . . . . 0.0 113.298 171.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' CE2' ' CD2' ' A' ' 53' ' ' LEU . 84.1 t80 -61.58 -55.34 31.82 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.175 -0.328 . . . . 0.0 111.135 172.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.73 -49.59 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.467 -173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.424 0.0 OUTLIER -63.28 -18.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -58.18 -52.26 66.29 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.404 166.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.27 -45.62 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.828 1.251 . . . . 0.0 107.655 172.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -49.35 33.71 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -160.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.21 -37.02 7.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.768 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -87.7 -21.3 25.29 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 118.365 -0.826 . . . . 0.0 113.108 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 156.18 31.45 Favored Glycine 0 N--CA 1.461 0.313 0 CA-C-O 125.772 2.874 . . . . 0.0 114.46 -169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.05 -173.79 3.32 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.635 -1.509 . . . . 0.0 113.306 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -168.94 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 125.004 2.335 . . . . 0.0 113.604 134.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.59 4.46 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 131.644 3.978 . . . . 0.0 117.812 172.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 44' ' ' THR . 4.8 m0 -75.73 158.26 32.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.658 1.183 . . . . 0.0 112.299 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.44 154.2 17.63 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -107.62 102.49 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 N-CA-C 102.042 -3.318 . . . . 0.0 102.042 -163.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.88 102.45 6.3 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 110.133 -3.212 . . . . 0.0 108.319 -168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.0 88.55 7.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.614 161.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -120.09 -176.68 3.25 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.771 -2.013 . . . . 0.0 106.76 165.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.0 p -132.67 137.9 47.12 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 156.91 17.51 Favored 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.317 2.261 . . . . 0.0 109.861 173.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.64 115.26 19.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 125.994 2.059 . . . . 0.0 110.867 170.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -148.29 147.0 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.987 1.315 . . . . 0.0 112.699 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.5 20.15 6.01 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 123.095 1.426 . . . . 0.0 114.264 175.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 73.62 11.53 4.7 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 127.219 2.208 . . . . 0.0 112.506 -167.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 19.0 tttp -119.46 151.47 38.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.63 145.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 168.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -125.91 150.23 48.11 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.181 1.551 . . . . 0.0 109.571 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -104.18 126.22 51.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.934 -0.479 . . . . 0.0 111.489 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 47' ' ' CYS . 9.3 p -84.4 158.54 21.06 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 125.669 1.588 . . . . 0.0 109.193 -170.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 -39.42 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 169.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 p -152.31 141.33 21.22 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.661 -168.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 1.6 tmtp? -115.61 138.71 50.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.345 -1.752 . . . . 0.0 113.194 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -142.14 119.37 11.46 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.733 1.73 . . . . 0.0 107.028 165.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' HE3' ' A' ' 40' ' ' LYS . . . 72.96 -125.47 9.79 Favored Glycine 0 C--N 1.309 -0.95 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.61 2.94 55.4 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 168.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.591 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.319 14.9 t -106.97 149.76 27.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.032 0.92 . . . . 0.0 111.898 -178.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 67.3 m-85 -150.22 111.19 4.34 Favored 'General case' 0 N--CA 1.43 -1.453 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -165.089 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -86.56 123.37 31.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 176.197 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 37' ' ' THR . 1.9 m -126.45 169.6 12.84 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 125.039 1.335 . . . . 0.0 110.778 -174.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -139.33 157.01 46.63 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 123.101 1.429 . . . . 0.0 112.178 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HE3' ' A' ' 33' ' ' LYS . 73.1 m-20 -117.93 -163.16 0.92 Allowed 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.182 156.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -69.67 -8.63 49.37 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.74 -29.38 4.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.323 1.449 . . . . 0.0 113.196 -150.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.32 178.99 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 130.334 3.454 . . . . 0.0 109.646 -159.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.639 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.2 mp -113.3 175.93 5.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.021 1.328 . . . . 0.0 112.092 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -151.62 136.79 17.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.87 114.24 26.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 161.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.64 98.95 7.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 166.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.1 m -100.01 100.55 11.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.03 -46.71 1.83 Allowed Glycine 0 C--O 1.218 -0.893 0 C-N-CA 128.572 2.986 . . . . 0.0 113.877 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p30 175.03 -5.31 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.588 3.555 . . . . 0.0 113.931 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.9 t -81.39 105.52 11.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 105.937 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -80.9 87.98 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 123.418 1.58 . . . . 0.0 110.626 172.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 88.35 7.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.313 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -54.69 134.88 47.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 122.305 1.05 . . . . 0.0 110.884 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -89.55 136.67 32.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.348 -0.845 . . . . 0.0 110.084 167.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.9 7.5 3.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.02 178.07 10.61 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.483 -3.155 . . . . 0.0 102.483 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -83.41 -50.82 15.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.636 159.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 m -60.16 -20.84 60.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.503 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -51.38 -49.83 60.75 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 118.688 0.676 . . . . 0.0 112.383 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.35 -26.56 5.03 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 125.05 1.468 . . . . 0.0 114.23 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -76.03 -37.56 58.24 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.68 -19.73 57.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 111.248 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.2 -46.76 79.39 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.974 -1.079 . . . . 0.0 110.692 170.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.69 -22.8 14.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.9 2.99 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.0 m -122.79 58.04 1.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.427 1.491 . . . . 0.0 112.197 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.499 0 C-N-CA 130.753 3.621 . . . . 0.0 115.299 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.5 -92.19 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.464 1.029 . . . . 0.0 109.768 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -61.89 30.92 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 129.174 2.99 . . . . 0.0 115.385 168.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -112.7 -69.58 0.86 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.738 1.215 . . . . 0.0 109.823 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 -38.2 42.24 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.507 -0.745 . . . . 0.0 111.362 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -62.58 -33.77 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.544 1.137 . . . . 0.0 109.806 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.531 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -69.97 -63.26 1.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.466 1.506 . . . . 0.0 110.472 -178.367 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -51.4 -41.67 60.88 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 130.736 3.614 . . . . 0.0 113.994 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.56 -50.81 65.82 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.692 -0.63 . . . . 0.0 111.005 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.14 -46.28 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.966 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m -56.77 -19.46 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 126.099 1.759 . . . . 0.0 114.432 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 16' ' ' ASN . 18.6 t70 -62.86 -62.76 1.5 Allowed 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 125.466 1.506 . . . . 0.0 110.493 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' ILE . 1.9 mp -53.93 -44.64 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 125.352 1.461 . . . . 0.0 108.217 169.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -61.02 -58.09 9.88 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -170.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -104.34 -41.84 5.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 110.17 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.486 HD22 ' HA ' ' A' ' 12' ' ' ASP . 51.0 m-20 -85.42 -7.38 58.97 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.769 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.21 -155.44 46.29 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 119.282 0.946 . . . . 0.0 113.335 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.09 161.89 34.03 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 -152.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.02 -164.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 111.51 -2.586 . . . . 0.0 112.242 133.255 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.75 3.29 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.489 2.715 . . . . 0.0 116.094 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HG23 ' A' ' 44' ' ' THR . 5.7 m95 -92.84 150.44 20.61 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.693 1.597 . . . . 0.0 113.366 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -88.88 152.43 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 113.457 -1.702 . . . . 0.0 107.699 168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.62 104.24 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.422 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 -164.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.56 100.97 6.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 111.038 -2.801 . . . . 0.0 110.396 -170.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.93 100.8 4.22 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 112.594 -2.093 . . . . 0.0 109.067 158.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.254 14.1 t -142.65 -179.11 6.12 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.557 1.543 . . . . 0.0 109.137 165.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.9 p -126.47 138.81 53.55 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 119.373 -2.079 . . . . 0.0 109.799 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.0 p -123.67 155.28 38.08 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.568 0.747 . . . . 0.0 113.015 -175.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -115.91 115.66 26.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.728 1.611 . . . . 0.0 109.323 -161.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -156.91 145.95 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.114 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.35 22.52 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.97 1.367 . . . . 0.0 113.489 176.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 70.6 15.43 7.1 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.473 2.309 . . . . 0.0 111.26 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 6.3 tptt -113.07 156.53 22.97 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 128.543 2.737 . . . . 0.0 106.005 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.41 120.49 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.721 165.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -95.16 162.7 13.59 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 128.529 2.732 . . . . 0.0 111.087 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 126.82 53.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 0.0 111.459 -175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 p -96.34 150.68 20.3 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.732 1.27 . . . . 0.0 108.68 -163.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 mt -108.67 -38.55 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.648 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 13' ' ' ILE . 3.7 p -156.01 153.38 29.41 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.688 -165.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -127.64 141.13 51.7 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.194 -1.821 . . . . 0.0 112.197 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' THR . 16.1 ttt180 -137.92 113.95 9.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 123.224 1.488 . . . . 0.0 109.781 161.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.56 -124.69 29.77 Favored Glycine 0 C--N 1.314 -0.689 0 CA-C-O 123.003 1.335 . . . . 0.0 111.937 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -7.05 57.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.586 -0.807 . . . . 0.0 112.359 175.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.571 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.297 14.1 t -105.84 147.8 28.28 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.217 0.607 . . . . 0.0 111.815 -171.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -147.99 122.83 9.97 Favored 'General case' 0 N--CA 1.438 -1.037 1 C-N-CA 132.004 4.122 . . . . 0.0 101.262 -163.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.79 124.06 48.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 -174.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.53 161.39 34.74 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 124.142 0.977 . . . . 0.0 109.83 -163.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 15.7 p90 -140.47 150.16 43.43 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.495 1.118 . . . . 0.0 111.772 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 64.7 m-20 -117.57 -151.7 0.49 Allowed 'General case' 0 C--O 1.223 -0.307 0 O-C-N 124.444 1.09 . . . . 0.0 109.178 164.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 29.8 m-20 -78.97 -10.56 59.86 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -171.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 p -119.96 -29.6 4.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 128.047 2.539 . . . . 0.0 114.537 -162.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 169.87 175.77 0.05 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.222 2.209 . . . . 0.0 110.549 -151.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' HG13 ' A' ' 67' ' ' VAL . 6.9 mp -105.76 169.18 8.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.867 -1.515 . . . . 0.0 112.498 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.18 132.74 22.22 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 112.88 -1.964 . . . . 0.0 105.963 172.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.62 118.95 28.64 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.66 99.74 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 164.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.7 m -88.86 90.49 8.43 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.93 -73.32 0.85 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.63 1.586 . . . . 0.0 110.427 -166.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -150.9 3.09 0.45 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.408 3.083 . . . . 0.0 111.603 -172.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -85.71 97.08 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 C-N-CA 125.874 1.67 . . . . 0.0 107.097 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 p -76.98 101.65 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 123.371 1.557 . . . . 0.0 111.407 174.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 tp -99.89 87.59 3.55 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.831 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.56 108.06 0.59 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.188 2.195 . . . . 0.0 111.935 167.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -78.15 134.31 37.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.786 1.234 . . . . 0.0 110.229 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.52 -4.92 12.92 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.47 170.57 19.29 Favored 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -79.98 -43.94 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.237 0 CA-C-N 111.299 -2.682 . . . . 0.0 110.67 166.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -56.58 -24.02 44.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -58.14 -52.12 66.85 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.785 0.834 . . . . 0.0 111.288 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.59 -24.47 5.46 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -75.77 -39.28 57.3 Favored 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 126.355 1.862 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.17 -31.56 64.31 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.252 -1.53 . . . . 0.0 110.612 171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -37.79 88.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 O-C-N 119.512 -1.993 . . . . 0.0 109.927 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.08 68.95 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.415 -1.266 . . . . 0.0 113.057 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.55 -1.64 21.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 113.79 -3.005 . . . . 0.0 114.788 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 m -163.91 117.71 1.48 Allowed 'General case' 0 C--N 1.387 2.207 0 CA-C-O 125.106 2.384 . . . . 0.0 110.403 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.499 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.263 0 C-N-CA 128.866 2.867 . . . . 0.0 118.62 169.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -146.21 -87.91 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.564 1.146 . . . . 0.0 109.629 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mtt -65.68 25.1 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 129.153 2.981 . . . . 0.0 113.841 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -111.69 -65.73 1.15 Allowed 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.499 1.12 . . . . 0.0 110.176 176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.2 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.913 -0.492 . . . . 0.0 110.845 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' HA ' HG11 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -64.94 -30.28 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.813 1.245 . . . . 0.0 111.529 -177.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -71.33 -63.97 1.01 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.588 1.955 . . . . 0.0 111.061 -177.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.48 -36.99 46.82 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.769 3.228 . . . . 0.0 111.798 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.08 -55.38 16.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.813 -0.554 . . . . 0.0 111.896 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.8 t -50.06 -54.11 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-O 116.853 -1.546 . . . . 0.0 113.066 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 7.0 m -52.08 -22.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.1 -50.86 52.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.431 2.292 . . . . 0.0 112.277 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.2 mp -59.59 -45.54 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.295 1.838 . . . . 0.0 107.982 164.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -62.68 -58.74 6.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.9 -1.5 . . . . 0.0 113.1 -161.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.52 -50.83 3.95 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.808 2.443 . . . . 0.0 110.431 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -81.12 -15.49 55.75 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 124.295 0.997 . . . . 0.0 112.021 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.0 144.34 3.98 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 119.963 1.256 . . . . 0.0 113.397 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.31 -174.82 0.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.894 1.33 . . . . 0.0 113.446 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -56.39 -153.25 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.136 1.774 . . . . 0.0 110.205 146.562 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -51.93 6.16 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.62 ' CH2' HD23 ' A' ' 46' ' ' LEU . 3.7 m0 -85.43 152.78 22.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 128.198 2.599 . . . . 0.0 111.624 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -96.9 137.02 36.63 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 126.067 2.104 . . . . 0.0 112.718 166.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -101.29 102.22 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -155.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.99 117.74 25.44 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 110.661 -2.972 . . . . 0.0 108.96 -170.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.01 92.47 6.87 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 112.724 -2.035 . . . . 0.0 107.592 164.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -131.91 -176.99 4.24 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 127.074 2.15 . . . . 0.0 108.157 169.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.5 p -138.86 138.75 37.76 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 56' ' ' ILE . 51.4 t -120.34 146.42 46.16 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -112.83 110.82 21.17 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 124.544 1.152 . . . . 0.0 109.813 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -154.28 146.9 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.027 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.24 17.81 4.86 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.002 1.721 . . . . 0.0 112.179 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 68.81 11.36 8.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.313 1.445 . . . . 0.0 111.457 -169.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 10.9 ttpt -117.19 160.9 20.32 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.781 2.832 . . . . 0.0 109.131 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.03 139.0 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 92.8 m-85 -122.35 132.35 54.34 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 127.919 2.488 . . . . 0.0 112.065 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -93.73 126.93 39.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.955 -1.09 . . . . 0.0 111.444 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -89.47 158.63 17.63 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.864 1.666 . . . . 0.0 109.666 -169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 mt -116.04 -38.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 124.404 1.082 . . . . 0.0 110.886 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 p -160.04 150.41 18.62 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 113.165 -1.834 . . . . 0.0 107.4 -165.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -122.4 153.48 39.0 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-N 113.928 -1.487 . . . . 0.0 112.997 166.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 44' ' ' THR . 20.4 ttt180 -136.09 116.25 13.43 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 125.135 2.398 . . . . 0.0 106.292 160.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.2 -124.25 34.65 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.168 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.06 8.01 9.55 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.467 0.745 . . . . 0.0 112.572 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.554 HG23 ' CH2' ' A' ' 21' ' ' TRP . 9.9 t -122.07 148.87 44.32 Favored 'General case' 0 C--O 1.214 -0.795 0 C-N-CA 124.113 0.965 . . . . 0.0 112.169 -177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -146.39 110.63 5.06 Favored 'General case' 0 N--CA 1.446 -0.643 1 C-N-CA 132.336 4.255 . . . . 0.0 101.904 -166.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.62 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -86.09 132.27 34.07 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 178.526 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.702 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -136.46 174.44 10.61 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 125.084 1.354 . . . . 0.0 112.116 -173.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.9 153.66 40.39 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.883 0.873 . . . . 0.0 111.786 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 87.6 m-20 -119.32 -152.11 0.5 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 163.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 18.5 m-20 -80.52 -11.87 59.61 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 120.471 -1.393 . . . . 0.0 114.262 -172.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.1 p -114.33 -31.31 6.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.869 2.068 . . . . 0.0 113.715 -162.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 171.52 -173.16 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.298 2.639 . . . . 0.0 109.829 -152.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.67 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -124.01 169.03 12.05 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.123 2.169 . . . . 0.0 111.969 -170.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 140.88 29.01 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.667 -1.606 . . . . 0.0 106.696 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.81 112.04 24.32 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 162.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.702 HD12 ' SG ' ' A' ' 47' ' ' CYS . 8.4 mt -89.67 104.89 15.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.8 m -108.9 83.34 1.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 123.283 1.516 . . . . 0.0 109.89 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.98 -79.55 1.8 Allowed Glycine 0 CA--C 1.548 2.131 0 C-N-CA 128.334 2.873 . . . . 0.0 110.084 -166.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.33 14.76 2.59 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.486 1.914 . . . . 0.0 110.106 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -115.22 103.64 15.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 103.895 -2.632 . . . . 0.0 103.895 -155.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 p -80.75 95.2 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.007 0.908 . . . . 0.0 110.694 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.93 85.61 5.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 123.346 1.546 . . . . 0.0 110.851 174.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.8 122.99 13.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 126.623 1.969 . . . . 0.0 112.927 169.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -83.64 151.24 25.41 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.32 1.448 . . . . 0.0 110.163 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.67 7.31 23.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.336 1.054 . . . . 0.0 113.728 173.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.4 174.98 14.3 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 -174.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.67 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.9 t -77.52 -50.38 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.203 0 CA-C-N 113.079 -1.873 . . . . 0.0 112.241 157.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -59.53 -21.1 59.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.315 1.046 . . . . 0.0 113.21 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.23 -51.48 69.79 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.011 -1.056 . . . . 0.0 112.289 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -24.02 37.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.52 -53.85 17.02 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 121.156 0.503 . . . . 0.0 110.101 170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.63 55.12 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.58 -53.08 46.94 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.163 -0.961 . . . . 0.0 108.685 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.96 -30.75 66.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -170.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.67 11.88 27.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.466 1.107 . . . . 0.0 110.536 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -153.8 98.6 2.21 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 118.843 -2.411 . . . . 0.0 113.414 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 1 C--O 1.136 -4.919 0 O-C-N 128.36 3.537 . . . . 0.0 114.304 165.251 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -142.28 -90.25 0.14 Allowed 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 121.915 2.143 . . . . 0.0 113.168 -171.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 24.33 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.8 2.44 . . . . 0.0 113.766 171.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -104.57 -66.84 0.94 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 118.428 0.558 . . . . 0.0 112.062 166.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.43 60.79 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -173.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -35.22 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 124.304 1.002 . . . . 0.0 108.495 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 5.6 tp60 -75.73 -49.43 18.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 115.705 -2.093 . . . . 0.0 113.832 -175.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -48.72 -55.49 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 128.159 3.412 . . . . 0.0 109.232 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 53' ' ' LEU . 75.7 t80 -52.62 -54.36 34.23 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 121.166 -0.959 . . . . 0.0 112.434 173.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.22 -49.49 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.768 177.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.94 -22.3 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.983 1.313 . . . . 0.0 113.832 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.63 -62.71 1.68 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.599 0.636 . . . . 0.0 110.825 165.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.28 -32.75 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 126.87 2.068 . . . . 0.0 110.71 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -61.97 1.61 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 112.052 -163.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.22 -55.8 4.66 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.946 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -81.52 -18.69 44.17 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.554 -169.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.02 155.64 21.87 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 125.944 1.735 . . . . 0.0 113.318 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.47 -178.67 3.63 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 125.028 2.347 . . . . 0.0 112.238 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -162.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 113.179 -1.828 . . . . 0.0 114.455 136.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 4.0 m-20 -48.93 7.33 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 130.518 3.527 . . . . 0.0 117.689 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.675 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.1 m95 -96.48 156.08 16.49 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 127.304 2.242 . . . . 0.0 110.362 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -101.07 156.34 17.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.931 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.489 ' CG1' HE22 ' A' ' 25' ' ' GLN . 71.0 t -108.13 100.55 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.818 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -157.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.24 104.98 8.51 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 111.48 -2.6 . . . . 0.0 109.556 -165.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.489 HE22 ' CG1' ' A' ' 23' ' ' VAL . 7.1 mp0 -93.86 91.41 6.93 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.218 1.485 . . . . 0.0 110.352 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.66 179.92 5.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 111.922 -2.399 . . . . 0.0 107.938 171.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.7 p -134.96 141.75 46.33 Favored 'General case' 0 CA--C 1.501 -0.909 0 O-C-N 120.203 -1.561 . . . . 0.0 108.085 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -133.27 139.45 46.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 124.874 1.359 . . . . 0.0 112.795 -168.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -114.4 101.9 9.59 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 126.132 2.145 . . . . 0.0 111.674 -155.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.6 151.35 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 125.894 1.996 . . . . 0.0 112.238 -170.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 71.51 11.1 6.56 Favored 'General case' 0 N--CA 1.502 2.139 0 C-N-CA 127.778 2.431 . . . . 0.0 111.425 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 73.26 17.3 4.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.242 2.217 . . . . 0.0 107.333 -171.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 9.3 ttpt -117.39 157.66 25.78 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 128.326 2.65 . . . . 0.0 108.533 -177.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.5 t -109.4 130.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 93.9 m-85 -106.91 161.43 14.71 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 117.864 -1.065 . . . . 0.0 108.517 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.58 125.93 47.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 119.53 1.059 . . . . 0.0 109.945 171.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -81.75 143.11 32.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.455 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 mt -101.08 -46.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.529 0.68 . . . . 0.0 110.737 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -147.2 156.41 42.94 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.265 -1.788 . . . . 0.0 110.014 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -129.13 146.02 51.17 Favored 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 113.238 -1.801 . . . . 0.0 112.747 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' THR . 26.3 ttt-85 -143.85 113.33 6.99 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.959 2.314 . . . . 0.0 110.135 162.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.94 -124.76 33.29 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.497 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.55 14.37 8.42 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.675 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.311 6.1 t -120.65 149.98 41.64 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 112.928 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -148.87 120.83 8.21 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 130.421 3.488 . . . . 0.0 102.801 -165.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -99.71 133.39 44.12 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.2 m -136.82 170.56 15.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.177 0.591 . . . . 0.0 111.701 -166.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -142.4 158.57 43.56 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 60.7 m-20 -128.42 -151.74 0.49 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 124.611 1.194 . . . . 0.0 110.524 161.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -69.87 -23.29 63.25 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 125.238 2.446 . . . . 0.0 115.368 -177.672 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 p -115.41 -26.81 7.41 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.698 1.599 . . . . 0.0 114.186 -152.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 164.24 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 127.267 2.227 . . . . 0.0 109.443 -149.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 9' ' ' PHE . 44.7 mt -127.98 163.55 24.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.068 2.947 . . . . 0.0 109.585 -159.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -150.57 133.95 16.34 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -178.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.96 128.23 35.07 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.26 99.96 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 163.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.4 m -93.73 93.42 7.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.24 -76.39 0.47 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.392 1.472 . . . . 0.0 109.629 -170.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.22 -3.79 2.74 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 129.193 2.997 . . . . 0.0 111.392 -173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.91 99.73 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.968 1.307 . . . . 0.0 109.139 -165.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.51 115.83 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 123.109 1.433 . . . . 0.0 111.289 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.13 88.1 2.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.776 1.63 . . . . 0.0 108.507 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -59.66 124.76 21.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.363 -2.199 . . . . 0.0 112.673 172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -90.95 137.25 32.51 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.792 -1.193 . . . . 0.0 109.896 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 2.96 3.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 173.03 17.42 Favored 'General case' 0 CA--C 1.482 -1.668 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 -176.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -42.44 23.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-N 111.207 -2.724 . . . . 0.0 113.193 163.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -25.61 66.31 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.646 -1.284 . . . . 0.0 113.363 -175.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -49.58 77.29 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.897 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.35 -24.45 55.28 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -73.98 -41.65 61.62 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.927 0.785 . . . . 0.0 110.289 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.49 -19.94 63.73 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.442 171.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.9 -50.76 65.25 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 124.364 2.03 . . . . 0.0 110.157 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.51 -36.11 63.87 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 127.473 2.309 . . . . 0.0 114.775 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -111.58 13.32 21.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.6 t -70.21 37.3 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 120.254 3.427 . . . . 0.0 120.254 -162.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' OXT' ' HE2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.294 3.4 0 CA-C-O 115.232 -2.318 . . . . 0.0 116.314 -157.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -144.31 -90.61 0.11 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.541 -1.349 . . . . 0.0 112.192 -164.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 mtm -64.83 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 129.257 3.023 . . . . 0.0 113.182 165.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -113.29 -55.85 2.47 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 125.072 1.349 . . . . 0.0 111.32 164.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.18 -47.87 55.02 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.857 1.263 . . . . 0.0 110.707 -162.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.25 -34.48 27.61 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 C-N-CA 128.733 2.813 . . . . 0.0 110.746 163.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.11 -49.46 9.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.707 1.14 . . . . 0.0 113.939 -174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.72 -53.46 54.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.125 2.17 . . . . 0.0 110.415 167.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 70.5 t80 -56.83 -54.08 50.51 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.019 0.824 . . . . 0.0 110.059 176.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.04 -48.78 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.162 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.52 -25.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.772 1.229 . . . . 0.0 113.612 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -43.17 81.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.069 -1.019 . . . . 0.0 111.585 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -50.19 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 165.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -50.11 35.76 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -155.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.92 -49.73 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.21 1.004 . . . . 0.0 110.807 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -88.69 -10.38 48.66 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 117.838 -1.077 . . . . 0.0 112.704 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.07 141.45 4.24 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 124.637 2.243 . . . . 0.0 113.631 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -177.94 0.08 Allowed 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 113.644 -1.278 . . . . 0.0 111.048 163.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -50.6 -158.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.644 2.64 . . . . 0.0 112.806 151.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.22 0.4 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.498 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CH2' HG23 ' A' ' 44' ' ' THR . 8.5 m95 -72.56 166.04 23.48 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 128.514 2.726 . . . . 0.0 113.322 172.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -90.75 145.5 24.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.396 2.678 . . . . 0.0 106.979 162.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.8 103.83 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 -172.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.69 147.09 46.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.395 -168.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.76 90.06 3.25 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 123.809 1.766 . . . . 0.0 111.03 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -136.36 179.05 6.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 110.765 -2.925 . . . . 0.0 109.937 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.1 p -143.28 141.37 31.0 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -169.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 56' ' ' ILE . 50.1 t -119.85 148.27 43.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.51 -0.744 . . . . 0.0 112.689 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -107.11 117.07 33.11 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 124.582 1.176 . . . . 0.0 110.762 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -150.93 148.95 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.861 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.61 17.88 9.92 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 62.46 36.12 14.34 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.229 1.811 . . . . 0.0 110.761 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 17.2 ttpt -143.41 159.31 42.61 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 129.102 2.961 . . . . 0.0 108.436 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.24 132.61 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.484 -1.385 . . . . 0.0 111.287 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CD1' HD11 ' A' ' 56' ' ' ILE . 83.4 m-85 -117.58 127.21 53.74 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 126.303 1.841 . . . . 0.0 110.011 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -93.95 119.96 33.56 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.253 -0.904 . . . . 0.0 110.834 -168.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 p -91.18 150.65 21.28 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 124.997 1.319 . . . . 0.0 109.913 -166.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mt -116.02 -33.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.765 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.92 142.83 15.27 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 113.468 -1.697 . . . . 0.0 109.146 -169.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 45' ' ' TYR . 5.3 ttpt -116.42 133.4 56.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.339 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' CD2' ' A' ' 21' ' ' TRP . 32.1 ttt180 -133.21 119.13 19.46 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 164.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.6 -131.24 51.95 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.005 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.43 15.99 5.92 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.828 -1.186 . . . . 0.0 113.556 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.589 HG23 ' CH2' ' A' ' 21' ' ' TRP . 12.7 t -117.42 155.33 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 123.103 1.43 . . . . 0.0 113.292 170.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 50.9 m-85 -151.13 104.46 3.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 C-N-CA 130.879 3.672 . . . . 0.0 102.197 -162.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' HB1' ' A' ' 70' ' ' ALA . 2.0 tp -74.75 133.25 42.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.403 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.684 ' SG ' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -140.52 170.8 15.12 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.347 1.459 . . . . 0.0 111.574 -175.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -135.28 156.27 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.028 1.331 . . . . 0.0 111.907 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -127.19 -152.9 0.54 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.187 0.994 . . . . 0.0 110.575 153.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -73.54 -3.52 28.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.898 2.079 . . . . 0.0 114.718 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.5 p -127.77 -33.52 2.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.114 1.366 . . . . 0.0 112.571 -153.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 165.39 177.44 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 128.54 2.736 . . . . 0.0 109.705 -153.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.576 HD13 HG13 ' A' ' 67' ' ' VAL . 6.8 mp -107.01 171.52 7.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.618 -1.174 . . . . 0.0 112.384 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.39 158.33 44.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.6 1.16 . . . . 0.0 108.164 175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.27 108.74 14.1 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD12 ' SG ' ' A' ' 47' ' ' CYS . 5.3 mt -86.73 99.79 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.4 m -94.55 98.45 10.84 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 -73.08 0.15 Allowed Glycine 0 N--CA 1.482 1.731 0 C-N-CA 124.625 1.107 . . . . 0.0 112.442 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 p30 -147.71 2.77 0.72 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.888 2.475 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.23 97.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 C-N-CA 126.92 2.088 . . . . 0.0 107.051 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.29 90.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.492 1.139 . . . . 0.0 110.348 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.84 91.69 8.41 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -56.76 130.07 43.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.747 1.619 . . . . 0.0 113.614 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 32.2 m-85 -94.27 142.73 27.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.918 1.287 . . . . 0.0 110.399 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.9 6.92 3.56 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -165.3 171.31 13.68 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.438 -2.801 . . . . 0.0 103.438 -162.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.576 HG13 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.12 -48.08 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 CA-C-N 113.15 -1.841 . . . . 0.0 110.862 156.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.8 m -61.96 -20.17 63.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.809 1.244 . . . . 0.0 113.783 -170.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.7 mmpt? -53.34 -52.14 60.17 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.308 0.643 . . . . 0.0 112.384 168.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -54.28 -24.45 18.92 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -75.97 -38.77 57.1 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.289 -1.507 . . . . 0.0 111.123 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.97 56.77 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 123.77 1.748 . . . . 0.0 110.641 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -67.96 -36.2 79.68 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.431 -1.418 . . . . 0.0 109.62 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -38.98 46.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 169.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -94.31 -8.43 38.99 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 116.753 -1.594 . . . . 0.0 115.114 173.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 75.6 m -134.46 98.06 3.98 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 127.286 2.234 . . . . 0.0 110.16 -176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 10.3 mptt . . . . . 0 C--O 1.268 2.054 0 C-N-CA 129.258 3.023 . . . . 0.0 111.541 164.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.536 ' CD2' ' H ' ' A' ' 3' ' ' MET . 7.6 p-80 -171.01 -89.17 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.875 1.27 . . . . 0.0 112.168 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.536 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 65.2 mtt -65.88 34.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 129.289 3.036 . . . . 0.0 113.702 171.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -109.29 -66.62 1.04 Allowed 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.592 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.29 -43.6 32.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 118.935 0.789 . . . . 0.0 110.356 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.502 ' HA ' HG11 ' A' ' 67' ' ' VAL . 1.2 p -58.61 -35.31 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.36 1.464 . . . . 0.0 110.786 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -69.54 -63.35 1.09 Allowed 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.144 1.378 . . . . 0.0 110.949 -179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 129.029 2.932 . . . . 0.0 112.085 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.89 -54.51 37.54 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 112.743 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' VAL . 15.1 t -53.15 -45.32 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.879 0.872 . . . . 0.0 112.642 -170.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.366 0.0 OUTLIER -59.73 -20.0 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -66.88 -43.57 83.16 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.13 0.491 . . . . 0.0 111.467 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.6 mp -66.31 -53.01 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.751 2.02 . . . . 0.0 107.277 164.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -61.04 2.94 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 122.209 1.004 . . . . 0.0 111.817 -161.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -102.9 -31.79 10.09 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.49 -1.382 . . . . 0.0 113.575 -173.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.2 -25.87 22.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.86 155.62 15.52 Favored Glycine 0 N--CA 1.477 1.422 0 CA-C-O 123.704 1.724 . . . . 0.0 115.127 -170.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.13 -171.19 3.45 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.061 1.744 . . . . 0.0 113.336 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -46.38 -170.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.597 2.759 . . . . 0.0 111.126 136.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -42.91 -3.83 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.303 1 C-N-CA 131.855 4.062 . . . . 0.0 116.671 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.785 ' CH2' HD23 ' A' ' 46' ' ' LEU . 5.3 m0 -74.09 159.69 32.29 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.676 -1.265 . . . . 0.0 113.684 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.89 153.13 19.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.677 1.591 . . . . 0.0 109.335 167.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.0 t -109.19 102.0 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.614 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 -160.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.36 108.66 11.44 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-N 110.432 -3.076 . . . . 0.0 106.566 -165.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -96.09 85.24 3.97 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.04 -2.208 . . . . 0.0 105.04 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.369 11.5 t -130.74 -172.35 2.79 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 126.287 1.835 . . . . 0.0 109.747 172.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.21 139.31 35.61 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 -174.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -123.78 158.3 32.05 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 126.508 1.923 . . . . 0.0 107.892 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -123.14 138.93 54.53 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.591 171.227 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' A' ' 61' ' ' VAL . 94.3 t -159.27 147.48 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 126.507 2.379 . . . . 0.0 109.784 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 65.89 22.45 11.36 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 123.945 1.831 . . . . 0.0 111.18 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm-85 63.87 17.63 10.65 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 127.174 2.19 . . . . 0.0 110.991 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -118.06 135.67 54.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.064 1.745 . . . . 0.0 107.617 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 32.7 t -88.24 137.12 21.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 121.185 -0.947 . . . . 0.0 109.651 169.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -117.24 154.32 31.37 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.288 2.235 . . . . 0.0 109.378 171.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -106.32 126.8 52.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.237 -1.539 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -87.28 152.69 22.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.668 1.987 . . . . 0.0 109.061 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mt -110.56 -36.14 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 CA-C-O 121.765 0.793 . . . . 0.0 111.325 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.04 146.35 20.31 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -166.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -116.27 139.36 50.46 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.109 168.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.64 119.99 7.36 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 170.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.51 -141.29 26.46 Favored Glycine 0 C--N 1.302 -1.36 0 CA-C-N 113.408 -1.724 . . . . 0.0 108.796 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.21 26.62 3.22 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.1 1.76 . . . . 0.0 112.298 163.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -112.33 142.55 44.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.562 1.945 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -150.34 108.51 3.75 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 101.576 -3.49 . . . . 0.0 101.576 -163.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.785 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -87.63 128.04 35.28 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.94 170.97 14.58 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.5 1.125 . . . . 0.0 110.527 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -144.79 152.9 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.387 0.675 . . . . 0.0 112.371 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 74.7 m-20 -113.93 -157.04 0.61 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.778 1.299 . . . . 0.0 109.796 164.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 19.0 m-20 -71.49 -5.3 32.01 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.806 1.765 . . . . 0.0 113.855 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -22.67 1.16 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 118.769 -2.457 . . . . 0.0 115.084 -153.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 165.37 174.93 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.899 1.68 . . . . 0.0 110.717 -160.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 ' CD1' HG13 ' A' ' 67' ' ' VAL . 4.0 mp -112.2 165.74 11.88 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.444 1.898 . . . . 0.0 111.864 -171.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -150.13 129.93 13.29 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 112.2 23.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 3.5 mp -90.56 116.33 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.3 m -113.05 107.83 16.5 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 171.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.91 -84.56 0.07 OUTLIER Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.479 1.038 . . . . 0.0 110.574 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -134.72 2.01 3.13 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.46 2.304 . . . . 0.0 110.679 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 46.9 t -92.84 112.14 25.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 126.355 1.862 . . . . 0.0 108.45 -171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HB ' HG11 ' A' ' 30' ' ' VAL . 12.7 p -92.48 107.31 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 122.897 1.332 . . . . 0.0 110.548 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -102.82 89.75 3.58 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.436 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -56.89 126.24 26.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.491 2.317 . . . . 0.0 114.33 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -98.71 135.27 40.44 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.065 0.946 . . . . 0.0 110.133 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.23 1.39 16.07 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.98 170.15 21.76 Favored 'General case' 0 CA--C 1.48 -1.731 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 177.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -78.1 -38.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 111.286 -2.688 . . . . 0.0 111.518 166.055 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.6 p -57.57 -28.78 63.88 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.561 -1.337 . . . . 0.0 113.075 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -61.25 -46.7 89.3 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.91 66.99 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.874 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -66.19 -48.58 70.19 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.963 0.789 . . . . 0.0 109.54 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.28 63.68 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.79 0.836 . . . . 0.0 112.274 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' HD1' HD21 ' A' ' 46' ' ' LEU . 74.0 t80 -68.49 -44.96 73.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 123.287 1.518 . . . . 0.0 111.104 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.86 -20.67 9.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 172.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.13 16.53 14.09 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.8 1.313 . . . . 0.0 113.437 173.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.1 m -148.88 96.34 2.55 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 119.671 -1.893 . . . . 0.0 111.857 171.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.524 4.5 pttp . . . . . 0 C--O 1.271 2.221 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 154.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 122.089 0.947 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.504 ' CG ' ' H ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -173.99 -86.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.059 1.743 . . . . 0.0 112.137 -170.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.504 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 32.0 mmt -63.06 32.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.852 3.261 . . . . 0.0 113.484 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.7 m -98.84 -64.28 1.05 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 120.462 -1.399 . . . . 0.0 110.921 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.59 -49.02 52.13 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 122.595 1.188 . . . . 0.0 111.317 -170.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HA ' HG11 ' A' ' 67' ' ' VAL . 56.3 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 C-N-CA 128.013 2.525 . . . . 0.0 109.261 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.88 -57.14 4.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.588 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.03 -54.83 5.14 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.717 2.007 . . . . 0.0 111.583 168.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.39 -46.4 90.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.553 0.741 . . . . 0.0 112.13 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' VAL . 12.9 t -51.92 -50.2 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.377 0.0 OUTLIER -63.23 -18.67 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -178.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.55 -33.66 73.0 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.908 1.683 . . . . 0.0 111.564 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -84.41 -49.74 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 128.022 2.529 . . . . 0.0 108.498 163.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -57.37 4.34 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.74 0.7 . . . . 0.0 111.429 -149.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.82 -43.03 8.79 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 122.595 0.358 . . . . 0.0 110.447 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.74 -32.9 68.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.4 139.87 5.66 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.761 1.172 . . . . 0.0 113.97 -173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -173.1 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.591 1.957 . . . . 0.0 114.718 -173.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.64 -150.02 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.374 2.269 . . . . 0.0 109.01 156.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -43.93 -5.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.476 ' CH2' HD23 ' A' ' 46' ' ' LEU . 6.6 m0 -86.77 157.5 19.59 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.432 -2.668 . . . . 0.0 115.588 -170.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.21 147.0 34.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 112.07 -2.332 . . . . 0.0 106.674 162.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.97 106.5 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 N-CA-C 101.942 -3.355 . . . . 0.0 101.942 -172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.45 145.6 46.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.651 -174.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -117.54 97.29 5.8 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 123.298 1.523 . . . . 0.0 107.838 160.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -134.41 179.17 6.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 111.766 -2.47 . . . . 0.0 108.705 166.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -127.57 149.02 50.35 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.535 1.934 . . . . 0.0 105.806 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.19 155.77 25.48 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 126.264 1.826 . . . . 0.0 109.475 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.7 m -133.71 113.65 12.58 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.45 149.01 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.85 1.969 . . . . 0.0 109.378 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.02 25.15 10.98 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.028 1.731 . . . . 0.0 111.598 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 64.15 30.04 13.85 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.364 1.866 . . . . 0.0 110.009 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 25.4 tptt -135.42 157.01 47.96 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.424 3.09 . . . . 0.0 106.453 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.5 t -113.74 145.55 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 119.456 -2.028 . . . . 0.0 106.165 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -134.86 149.43 50.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.99 1.316 . . . . 0.0 109.976 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.1 124.8 47.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.394 -0.817 . . . . 0.0 110.111 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' SG ' ' A' ' 47' ' ' CYS 0.3 0.6 OUTLIER -92.22 137.08 32.66 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.732 1.213 . . . . 0.0 111.08 -172.644 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.04 -34.23 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.805 1.642 . . . . 0.0 112.332 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -158.19 142.05 15.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.848 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -114.99 144.64 43.28 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.344 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.496 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -155.91 123.01 5.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 167.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.6 -126.26 7.37 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 1.4 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.332 1.053 . . . . 0.0 112.868 163.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -102.57 145.37 29.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.352 1.461 . . . . 0.0 108.784 -162.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -148.59 113.76 5.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 100.846 -3.761 . . . . 0.0 100.846 -167.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD23 ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -90.35 122.78 33.54 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -178.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' SG ' ' HB ' ' A' ' 37' ' ' THR . 8.0 m -125.56 173.25 9.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.729 0.811 . . . . 0.0 112.27 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . 35.7 p90 -139.7 155.77 47.18 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 15.9 m-20 -109.29 -174.38 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.987 2.115 . . . . 0.0 106.276 156.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -8.47 53.71 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.2 p -99.86 -33.29 10.6 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 125.57 1.548 . . . . 0.0 113.546 -173.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . 0.349 1.1 p-10 169.7 174.67 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.292 1.837 . . . . 0.0 109.574 -145.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 67' ' ' VAL . 5.2 mp -112.53 170.15 8.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 125.015 1.326 . . . . 0.0 112.496 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 2.3 m-85 -146.16 134.56 21.92 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 115.025 -2.417 . . . . 0.0 107.516 173.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.94 122.53 30.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 121.279 1.854 . . . . 0.0 110.44 159.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . 0.252 3.6 mp -94.62 105.62 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.011 168.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.95 76.83 3.57 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.05 -71.99 1.4 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.077 1.322 . . . . 0.0 111.301 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.2 12.17 2.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 126.811 2.044 . . . . 0.0 111.455 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.39 107.41 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.982 1.313 . . . . 0.0 108.959 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -85.52 93.77 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 123.747 1.737 . . . . 0.0 109.948 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.41 86.76 6.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.128 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -56.13 131.69 48.35 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 125.468 1.73 . . . . 0.0 111.581 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 58.6 m-85 -94.82 142.75 27.11 Favored 'General case' 0 N--CA 1.422 -1.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 163.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.77 6.33 4.07 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.98 174.54 12.19 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.645 HG13 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -83.75 -48.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 111.736 -2.484 . . . . 0.0 111.364 163.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -15.78 58.54 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.485 -0.76 . . . . 0.0 112.655 -174.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 5.3 mmpt? -55.81 -55.53 31.28 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 120.823 -1.173 . . . . 0.0 112.444 167.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.41 31.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.993 1.317 . . . . 0.0 112.388 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -65.68 -51.18 61.47 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.342 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.07 66.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.964 1.306 . . . . 0.0 114.214 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -66.12 -51.47 57.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.971 1.367 . . . . 0.0 110.17 171.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -29.3 27.02 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 75' ' ' GLU . 3.1 pt-20 -93.58 -7.38 44.24 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.509 0.724 . . . . 0.0 112.191 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.3 m -137.89 106.49 5.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 128.625 2.77 . . . . 0.0 110.449 -166.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.276 2.474 1 CA-C-O 111.141 -4.266 . . . . 0.0 117.271 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.484 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 79.05 -73.62 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 127.094 2.158 . . . . 0.0 108.413 177.507 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.82 33.81 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.246 3.018 . . . . 0.0 111.909 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 2' ' ' HIS . 85.8 m -100.11 -64.13 1.07 Allowed 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.597 2.359 . . . . 0.0 109.311 170.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.74 -46.88 34.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 122.55 1.167 . . . . 0.0 112.296 -174.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.8 -31.49 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.831 -173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.45 -62.82 1.6 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.107 2.163 . . . . 0.0 111.251 176.23 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.77 -49.76 10.49 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 130.383 3.473 . . . . 0.0 111.027 -177.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -72.09 -38.06 69.45 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t -65.71 -51.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.322 0.649 . . . . 0.0 112.403 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 21.7 m -56.23 -22.42 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -68.11 -57.31 6.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 112.308 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.0 mp -52.4 -40.8 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.405 1.882 . . . . 0.0 108.877 165.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -62.07 -57.35 11.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -176.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -103.64 -43.08 5.46 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.754 2.022 . . . . 0.0 111.889 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -86.45 -24.79 25.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.219 0.608 . . . . 0.0 111.764 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.28 173.71 29.96 Favored Glycine 0 C--N 1.344 1.019 0 C-N-CA 124.698 1.142 . . . . 0.0 115.216 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.33 -176.18 5.54 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -52.98 -158.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.58 1.952 . . . . 0.0 111.996 146.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.11 8.66 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.146 1.379 . . . . 0.0 112.494 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CG ' ' HB2' ' A' ' 41' ' ' ARG . 3.6 m0 -78.02 165.37 24.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 118.256 -2.778 . . . . 0.0 111.831 172.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.59 151.77 22.27 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 128.997 2.919 . . . . 0.0 112.088 158.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -108.49 104.66 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -120.0 141.45 49.69 Favored 'General case' 0 N--CA 1.416 -2.169 0 CA-C-O 125.484 2.564 . . . . 0.0 109.243 178.475 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -114.24 81.51 1.55 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.265 -2.243 . . . . 0.0 107.996 171.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' HD23 ' A' ' 24' ' ' LEU . 8.9 t -118.64 -179.82 3.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 113.679 -1.6 . . . . 0.0 109.88 171.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.7 p -138.69 144.1 39.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -137.15 140.82 42.11 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -163.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m -114.75 108.7 17.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.723 1.264 . . . . 0.0 112.934 -153.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -155.99 153.14 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 127.002 2.121 . . . . 0.0 109.376 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 59.94 24.22 13.33 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 125.944 1.698 . . . . 0.0 112.992 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 66.11 16.05 10.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.122 1.369 . . . . 0.0 110.38 -173.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -123.26 165.36 17.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 130.262 3.425 . . . . 0.0 107.77 -172.382 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.31 140.25 40.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.94 134.41 55.3 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 124.477 1.111 . . . . 0.0 110.031 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -85.46 123.91 31.44 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.397 -0.814 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 47' ' ' CYS . 4.8 p -92.08 150.15 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.58 1.952 . . . . 0.0 108.364 -169.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 46' ' ' LEU . 1.5 mt -111.16 -33.53 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.966 0 O-C-N 124.684 1.24 . . . . 0.0 110.948 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' SG ' HG21 ' A' ' 13' ' ' ILE . 6.2 p -162.03 141.52 9.77 Favored 'General case' 0 CA--C 1.482 -1.64 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -164.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -115.42 127.65 55.5 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-N 112.526 -2.125 . . . . 0.0 113.45 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HB2' ' CG ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -128.61 123.38 33.16 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 166.221 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.28 -128.97 14.18 Favored Glycine 0 N--CA 1.445 -0.736 0 O-C-N 124.98 1.425 . . . . 0.0 110.235 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.53 0.45 54.27 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 164.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -100.24 144.1 29.65 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.396 1.879 . . . . 0.0 109.371 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -150.61 108.05 3.63 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 129.331 3.052 . . . . 0.0 103.116 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 38' ' ' ILE . 4.7 tp -82.2 133.57 35.26 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 37' ' ' THR . 2.7 m -143.2 176.45 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.5 1.046 . . . . 0.0 113.024 -170.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -155.02 157.97 38.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' OD2' ' HE3' ' A' ' 33' ' ' LYS . 93.4 m-20 -125.66 -153.02 0.54 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.879 1.272 . . . . 0.0 109.98 169.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 1.9 m-20 -74.48 -25.72 59.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 166.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 p -89.81 -34.41 16.16 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.51 0.724 . . . . 0.0 112.057 -166.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.12 -179.59 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 129.411 3.084 . . . . 0.0 111.673 -166.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.81 162.54 16.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.126 1.77 . . . . 0.0 114.041 168.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -141.81 146.38 35.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.168 1.787 . . . . 0.0 108.109 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.73 114.75 29.1 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 119.888 -1.757 . . . . 0.0 106.478 163.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.03 108.82 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 122.813 1.292 . . . . 0.0 109.04 163.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -102.53 85.26 2.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 102.055 -3.313 . . . . 0.0 102.055 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.95 -79.74 0.98 Allowed Glycine 0 C--O 1.216 -1.017 0 N-CA-C 107.138 -2.385 . . . . 0.0 107.138 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.78 -0.47 2.33 Favored 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -95.53 104.35 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 119.65 -1.906 . . . . 0.0 110.912 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -79.78 87.7 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 124.119 1.914 . . . . 0.0 110.222 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.81 86.59 7.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.475 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -58.71 126.09 26.19 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.776 2.031 . . . . 0.0 113.628 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 45.0 m-85 -93.98 137.61 33.0 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.119 1.367 . . . . 0.0 110.745 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 -4.93 27.87 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.64 144.05 7.23 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 122.801 1.286 . . . . 0.0 108.666 -165.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.29 -31.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.13 -1.396 . . . . 0.0 109.317 -163.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -71.89 -18.47 62.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.506 1.922 . . . . 0.0 114.292 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.75 -44.92 78.05 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 120.569 1.531 . . . . 0.0 111.596 164.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -58.61 -25.85 63.08 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.46 -49.08 44.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.72 1.208 . . . . 0.0 111.756 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.29 64.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.077 0.551 . . . . 0.0 111.696 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.05 -38.85 69.41 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 124.052 0.941 . . . . 0.0 110.03 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.66 -26.07 30.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.402 -1.436 . . . . 0.0 114.548 173.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.61 8.39 22.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.225 1.41 . . . . 0.0 113.773 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 m -127.19 70.08 1.29 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.649 2.38 . . . . 0.0 111.794 170.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 130.932 3.693 . . . . 0.0 115.64 169.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.488 ' CG ' ' H ' ' A' ' 3' ' ' MET . 4.5 p80 -171.98 -95.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 121.64 2.018 . . . . 0.0 110.569 167.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.488 ' H ' ' CG ' ' A' ' 2' ' ' HIS . 28.3 ptm -52.88 11.1 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 C-N-CA 130.569 3.548 . . . . 0.0 116.622 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -106.99 -63.51 1.28 Allowed 'General case' 0 CA--C 1.488 -1.429 0 C-N-CA 125.145 1.378 . . . . 0.0 110.031 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 123.789 0.835 . . . . 0.0 110.595 -174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 3' ' ' MET . 0.8 OUTLIER -61.52 -36.53 73.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 C-N-CA 125.442 1.497 . . . . 0.0 109.905 170.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -75.51 -51.51 12.8 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 122.888 1.328 . . . . 0.0 110.101 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -47.21 -52.01 17.0 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.547 2.739 . . . . 0.0 113.043 167.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -58.88 -48.67 80.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.395 0.678 . . . . 0.0 111.729 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -54.34 -51.13 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 116.846 -1.55 . . . . 0.0 112.322 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.349 0.0 OUTLIER -65.05 -20.73 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.16 -39.02 77.75 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 118.744 0.702 . . . . 0.0 112.553 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.19 -49.56 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.555 1.942 . . . . 0.0 107.687 167.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -51.63 35.43 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 118.211 0.46 . . . . 0.0 111.588 -155.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -98.36 -50.08 4.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.109 0.563 . . . . 0.0 109.544 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -82.72 -9.64 59.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.85 138.28 1.8 Allowed Glycine 0 C--N 1.36 1.88 0 CA-C-O 123.654 1.697 . . . . 0.0 115.702 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -178.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 112.444 -1.878 . . . . 0.0 113.675 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -156.59 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 126.785 2.034 . . . . 0.0 112.307 145.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -41.14 -15.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.667 ' CH2' HG23 ' A' ' 44' ' ' THR . 6.2 m95 -71.89 157.78 37.24 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.624 1.17 . . . . 0.0 113.78 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.11 144.39 25.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.965 0.906 . . . . 0.0 108.807 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.39 106.77 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 -156.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 148.48 44.78 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.411 -1.722 . . . . 0.0 112.048 -169.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -115.91 88.0 2.79 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 165.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -133.0 179.59 6.09 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.849 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -139.63 145.38 38.42 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 56' ' ' ILE . 45.1 t -132.85 148.04 52.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 C-N-CA 124.881 1.273 . . . . 0.0 112.974 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 m -123.3 108.05 12.33 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.418 -160.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG11 ' HB ' ' A' ' 61' ' ' VAL . 29.6 t -150.66 149.73 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 124.225 1.01 . . . . 0.0 111.651 -171.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.55 21.04 9.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 127.268 2.227 . . . . 0.0 112.677 -167.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 71.61 8.65 6.23 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 126.142 1.777 . . . . 0.0 111.646 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HE3' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -105.55 166.76 10.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.692 3.197 . . . . 0.0 106.51 -175.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.93 138.5 54.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -122.65 148.08 45.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.437 1.895 . . . . 0.0 108.478 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -100.48 130.48 46.56 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.613 HG22 ' SG ' ' A' ' 47' ' ' CYS . 1.6 p -97.63 141.66 30.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.894 1.678 . . . . 0.0 109.318 -168.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.49 -35.32 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 123.442 1.592 . . . . 0.0 112.198 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.75 145.69 14.27 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-N 113.164 -1.834 . . . . 0.0 110.085 -166.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' A' ' 42' ' ' GLY . 13.2 tmtt? -120.78 136.58 54.85 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 111.593 -2.549 . . . . 0.0 111.166 -175.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 44' ' ' THR . 13.1 ttt180 -140.68 118.61 11.82 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 123.645 1.688 . . . . 0.0 108.555 164.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 79.01 -118.42 4.79 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.985 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -98.25 3.25 48.82 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 164.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CH2' ' A' ' 21' ' ' TRP 0.276 8.0 t -104.98 150.85 24.57 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.423 0.63 . . . . 0.0 111.808 -173.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE1' ' HG3' ' A' ' 40' ' ' LYS . 51.1 m-85 -151.58 110.13 3.8 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 130.396 3.478 . . . . 0.0 101.728 -158.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 124.4 30.52 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' A' ' 37' ' ' THR . 3.0 m -132.25 171.83 13.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.755 0.659 . . . . 0.0 111.019 -173.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -140.15 158.51 43.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 50' ' ' ASP . 75.9 m-20 -112.03 -163.23 0.84 Allowed 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 123.794 1.759 . . . . 0.0 106.821 153.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -64.43 -29.95 71.0 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.73 -1.232 . . . . 0.0 113.827 176.126 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -101.69 -26.8 13.37 Favored 'General case' 0 N--CA 1.435 -1.225 0 C-N-CA 125.223 1.409 . . . . 0.0 112.722 -153.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.8 172.2 0.07 Allowed 'General case' 0 C--O 1.246 0.91 0 C-N-CA 128.0 2.52 . . . . 0.0 110.047 -149.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.65 ' CD1' HG13 ' A' ' 67' ' ' VAL . 1.6 mp -120.5 171.39 8.59 Favored 'General case' 0 N--CA 1.426 -1.669 0 C-N-CA 125.889 1.676 . . . . 0.0 111.725 -171.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -149.86 129.79 13.41 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.65 104.18 16.49 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 172.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.411 HG21 ' SG ' ' A' ' 28' ' ' CYS . 3.3 mp -85.15 113.85 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 171.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.4 m -112.58 98.45 7.25 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.86 -68.51 0.79 Allowed Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.044 1.307 . . . . 0.0 112.741 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -153.9 -1.41 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 128.982 2.913 . . . . 0.0 112.7 -175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.1 t -84.84 102.22 10.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 127.178 2.191 . . . . 0.0 108.458 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' HB ' HG11 ' A' ' 30' ' ' VAL . 14.5 p -85.7 95.07 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 123.211 1.482 . . . . 0.0 110.799 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.97 87.77 6.32 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.309 -0.869 . . . . 0.0 109.31 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -55.89 127.02 28.29 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 17.2 m-85 -91.17 135.93 33.44 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.767 1.227 . . . . 0.0 107.943 177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.36 9.17 0.65 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 170.65 19.28 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 103.914 -2.625 . . . . 0.0 103.914 -165.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.65 HG13 ' CD1' ' A' ' 53' ' ' LEU . 1.3 t -75.63 -45.55 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 CA-C-N 112.444 -2.162 . . . . 0.0 111.131 151.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.559 1.143 . . . . 0.0 113.372 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 4.0 mmpt? -53.13 -50.12 65.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.717 1.207 . . . . 0.0 113.494 172.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.26 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -72.92 -51.24 19.3 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 117.992 0.36 . . . . 0.0 110.884 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -20.38 65.39 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' HA ' ' HB ' ' A' ' 76' ' ' THR . 45.5 t80 -66.79 -45.7 77.61 Favored 'General case' 0 C--N 1.361 1.082 0 O-C-N 120.781 -1.199 . . . . 0.0 110.953 174.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.8 -40.12 59.85 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 113.266 -1.788 . . . . 0.0 115.19 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -107.42 26.64 9.98 Favored 'General case' 0 CA--C 1.606 3.115 0 C-N-CA 131.124 3.77 . . . . 0.0 112.536 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 73' ' ' TYR 0.28 5.9 t -65.36 29.8 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.278 2.601 0 C-N-CA 127.385 2.274 . . . . 0.0 106.247 -172.212 . . . . . . . . 1 1 . 1 stop_ save_