data_2m7o_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 2m7o _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.034 0.445 . . . . 75.24 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.52 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.15 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.11 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 73.5 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 75.21 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.24 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.54 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.51 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.52 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.24 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 75.35 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 75.13 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.01 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.34 112.434 -170.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.31 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 73.03 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 75.41 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 63.0 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.33 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.32 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.15 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 62.43 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 74.11 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG11 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.12 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 75.35 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' H ' HG11 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 75.35 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 75.24 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.51 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 40.34 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.41 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 74.55 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.32 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.11 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.53 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.35 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 73.51 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 73.54 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 75.13 107.185 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 74.24 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.23 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.33 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.01 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 75.22 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 74.21 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 75.42 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 75.35 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 74.02 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.52 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.54 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 75.23 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.33 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 74.34 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.24 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.31 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 63.03 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.33 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 72.03 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.14 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.14 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.34 108.242 167.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.413 0.625 . . . . 75.24 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.34 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.41 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.44 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 72.45 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 75.25 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 72.42 110.396 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 75.43 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.15 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 74.34 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.53 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.14 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.23 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.12 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.45 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.52 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.52 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.35 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.12 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.44 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.34 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.43 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.42 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.33 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.43 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.14 105.813 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.33 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 75.12 106.111 -166.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.34 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.22 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.52 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.14 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.55 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 73.32 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 72.23 110.047 -172.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 73.31 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 62.53 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.52 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 71.12 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.54 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.42 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 63.23 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 73.33 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.15 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 72.23 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.12 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.45 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.33 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 74.25 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 74.24 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.42 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 73.22 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.43 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.54 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.44 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 73.41 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.51 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 74.24 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.13 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.45 106.981 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.01 -0.737 . . . . 63.44 109.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 73.24 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.31 107.476 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 74.12 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.42 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.42 109.18 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.05 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.31 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.34 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.43 111.174 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 74.45 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.45 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.02 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.41 113.222 -166.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.02 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 75.43 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.15 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 43.15 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 74.11 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.42 107.551 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.01 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.21 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 73.33 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.35 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 64.45 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.24 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 74.44 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.35 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.34 107.686 170.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.43 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.44 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 73.41 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.13 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 75.24 108.125 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 74.21 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.32 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 61.43 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.21 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 75.11 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.42 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.41 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.11 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.24 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.01 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.53 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 74.15 106.639 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 73.12 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.22 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 75.33 109.921 167.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.31 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.31 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.33 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.15 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 74.24 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 75.15 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 74.44 109.46 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.11 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 75.25 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.33 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.31 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.35 108.235 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.521 -0.548 . . . . 73.42 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.24 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.22 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 55.24 108.515 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.34 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 73.51 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 74.32 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 74.11 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.35 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.51 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 74.31 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.11 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 75.14 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.12 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.41 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 71.43 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.44 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.43 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.14 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.42 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 74.23 105.985 172.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 74.31 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.04 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 63.22 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 65.12 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 75.23 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.25 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.15 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 74.25 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 73.35 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 71.14 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 74.42 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 70.12 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.24 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 62.14 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 74.21 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 73.44 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.44 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 65.22 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 71.01 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 74.43 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 75.44 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.01 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 61.22 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 74.35 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 71.42 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 75.34 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 71.43 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 72.12 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 64.14 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.12 114.404 161.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.22 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.32 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 75.33 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 73.33 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 75.43 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.24 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.15 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.31 110.496 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.574 0.226 . . . . 72.12 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 73.45 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 74.34 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.55 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.41 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.24 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 74.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 71.33 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.45 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 75.33 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 73.11 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 75.55 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.31 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.51 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 74.41 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.4 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.53 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.54 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.34 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 74.13 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.42 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 52.43 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.51 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.53 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 HG13 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 74.33 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 71.31 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.13 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 73.44 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.52 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 61.12 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 74.54 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.24 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.43 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.35 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.32 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 74.35 109.557 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.22 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.13 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.3 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.14 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.43 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.14 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.4 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.13 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.22 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.2 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 75.1 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 75.44 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.11 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 74.15 105.199 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 75.31 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.34 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t30 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.41 116.45 -175.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.43 111.337 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.13 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.54 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 70.54 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 72.51 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 73.32 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.43 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.44 110.643 -168.304 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 C--O 1.238 0.482 0 N-CA-C 109.557 -0.534 . . . . 62.33 109.557 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.34 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 73.33 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.02 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.1 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.34 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.21 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 65.42 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 74.31 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 72.33 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.24 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.33 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 72.34 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.14 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 73.23 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.41 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.43 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.41 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 64.13 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.44 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.53 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 71.43 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 71.22 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.44 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.23 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.33 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.24 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.01 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.42 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.41 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 65.22 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 73.3 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.1 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.3 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 73.33 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.11 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.44 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.41 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 73.25 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 73.22 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.23 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 65.51 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.33 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 74.23 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.42 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 74.15 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.41 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 74.53 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.44 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.42 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 64.2 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.21 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.31 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.14 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 73.02 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.13 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 73.12 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 74.14 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 74.15 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.55 109.264 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm . . . . . 0 C--O 1.239 0.503 0 CA-C-O 121.382 0.61 . . . . 73.44 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.52 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.54 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 72.13 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.52 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.42 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 74.22 110.31 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.54 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.4 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 72.14 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.53 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.14 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.14 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 71.13 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 74.2 113.452 -169.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.34 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.14 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 74.3 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.53 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 70.41 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 73.1 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 73.14 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.53 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 72.4 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 72.51 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 73.21 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.42 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 65.25 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.42 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.44 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.21 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.53 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 73.32 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.45 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.1 108.46 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.13 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.24 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 54.11 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.51 105.344 167.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.31 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 74.24 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.34 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.54 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.55 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.43 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.45 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.43 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.12 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.14 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 73.24 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.53 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.23 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.23 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.05 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.42 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.21 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 72.22 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.43 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.54 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.42 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 72.31 108.827 177.689 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.994 -0.373 . . . . 71.51 109.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.24 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 73.32 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.13 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.13 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 62.44 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 74.51 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.12 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 74.52 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 74.12 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.14 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 63.41 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.31 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 75.0 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.04 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.4 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 73.02 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 72.24 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 64.02 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.42 107.357 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.32 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.33 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.52 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.54 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 72.41 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.4 111.739 168.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' H ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.4 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.24 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.44 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 55.21 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.42 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.34 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.14 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.54 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 75.34 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 73.42 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.24 113.383 162.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.52 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 75.3 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.21 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 75.1 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.34 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.43 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 63.51 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 74.12 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.41 109.778 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.24 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 72.31 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 73.2 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 72.51 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.4 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.55 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.31 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 73.1 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.33 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 73.02 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 72.02 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.04 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.34 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.32 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.13 108.91 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.757 -0.46 . . . . 72.41 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.45 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 71.21 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.23 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.32 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 74.43 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 75.2 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.44 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.2 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 73.32 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 70.41 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 71.43 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.43 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.3 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 74.13 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 65.4 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.4 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.14 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 73.12 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 75.4 109.379 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.12 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.3 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.2 107.87 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.04 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 75.43 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.11 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 74.23 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 74.12 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 74.01 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.43 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 71.41 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.31 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.22 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 64.43 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 70.22 109.663 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.23 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 74.44 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.22 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.44 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.01 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.4 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.22 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.43 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.13 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 53.4 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.1 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 74.21 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.24 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.11 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.43 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.24 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.12 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.04 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.24 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.31 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 73.34 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.44 115.044 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.11 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 72.23 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.04 108.19 165.726 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 110.414 -0.217 . . . . 74.22 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.13 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 73.12 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.23 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.12 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 72.43 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 72.04 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 75.43 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 75.04 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.4 112.492 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 75.14 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.01 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.44 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 64.22 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.3 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 75.43 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.42 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.42 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.23 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 75.33 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.03 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.3 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.23 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 74.11 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG13 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 74.24 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.24 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.53 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 52.05 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 72.45 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.15 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 74.42 113.147 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.44 108.295 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 74.44 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 70.25 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 74.44 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 64.23 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 64.31 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 71.45 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG22 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.33 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.2 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 72.2 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.13 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.31 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.3 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.44 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.33 108.21 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 74.31 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 72.02 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 74.02 104.154 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 74.44 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.24 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 70.31 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 71.15 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 74.03 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.42 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.33 109.248 -166.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 70.11 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.35 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 70.01 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.02 108.106 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.233 0.232 0 CA-C-O 122.099 0.952 . . . . 72.04 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 12' ' ' GLU . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.35 110.213 170.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.55 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.54 108.351 169.321 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 74.55 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' A' ' 8' ' ' LYS . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.33 110.683 -175.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 73.11 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 75.45 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.23 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 74.15 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.12 111.415 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 75.14 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.51 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.33 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 71.21 112.698 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.32 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.44 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 74.12 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.22 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.31 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.44 108.434 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.42 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 75.31 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 74.53 104.17 157.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.11 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.541 ' CG2' ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 73.23 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.24 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 72.24 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 10' ' ' GLN . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.51 107.383 174.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.14 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 71.33 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 63.15 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 75.24 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 74.43 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.55 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 75.43 107.128 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.34 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.5 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.22 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.3 109.008 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 75.22 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.34 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 75.44 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.31 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.3 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.21 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.1 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.24 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 75.22 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 74.41 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.51 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 53.43 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 53.12 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.45 113.373 164.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.31 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.11 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 75.21 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 75.51 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.54 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.34 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 55.32 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.13 110.54 -177.774 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.57 -0.9 . . . . 64.1 108.57 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 74.42 108.576 166.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 70.3 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.32 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.14 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 71.21 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.33 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 71.44 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.44 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.23 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 72.24 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.53 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 73.54 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.21 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 75.33 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.43 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.13 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 72.34 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.44 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.24 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.45 109.218 171.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 71.34 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.42 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 73.22 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 75.33 106.069 -173.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.53 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.2 107.389 -172.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 74.24 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.23 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.14 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 73.03 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.53 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 72.4 109.121 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.52 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 75.54 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 74.4 109.884 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 71.52 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 75.44 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.41 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.2 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.33 109.934 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.44 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.45 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 71.41 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 73.54 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.53 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.22 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.3 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 75.33 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 75.5 105.871 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.44 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 75.32 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.53 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.32 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 75.2 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 75.21 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.24 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.4 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.1 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.11 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.4 108.819 177.551 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--O 1.237 0.431 0 CA-C-O 121.094 0.473 . . . . 75.45 110.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.42 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 62.51 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 72.43 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.52 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 75.22 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.43 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 75.15 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.35 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.43 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.53 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 75.41 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 42.14 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.24 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.03 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 74.53 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.01 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 73.44 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.41 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.24 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.43 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 64.1 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.3 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.13 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.14 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 72.44 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.33 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.14 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.55 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 75.53 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 73.32 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.13 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.13 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 73.21 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 72.43 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 55.02 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 74.34 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 72.53 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.01 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.3 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 75.14 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.43 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.1 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.34 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.42 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 65.03 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 75.01 107.248 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.12 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.24 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.13 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 71.43 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.31 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.43 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.14 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.35 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.31 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 71.53 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.04 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.1 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.23 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 74.11 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.33 107.159 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.457 -0.572 . . . . 73.4 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 75.1 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.33 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 74.31 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.11 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 74.04 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 61.1 110.648 -173.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 64.54 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.32 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 74.5 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 73.54 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.55 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 72.4 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 73.13 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.55 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 74.31 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.11 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 75.42 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.15 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 74.42 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 74.32 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 65.45 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.32 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 72.23 104.88 163.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.15 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.14 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.41 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 71.2 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 37' ' ' SER . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.42 105.618 171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 73.4 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 35' ' ' TYR . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.42 112.636 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.12 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.23 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.22 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.01 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.33 109.045 -173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 74.13 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 53.04 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.24 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.44 109.545 -170.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 75.51 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.41 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.33 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 62.52 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.34 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 72.21 106.128 174.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 74.25 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.42 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.15 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.1 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.42 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.53 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 73.31 113.074 -176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.3 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.21 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.24 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 75.34 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.11 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.54 111.562 168.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 73.41 107.052 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.41 107.098 176.433 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.76 0.315 . . . . 70.43 111.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 72.43 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.23 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 71.43 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 72.04 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.01 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.41 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 72.12 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.45 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 73.21 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.32 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.02 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.14 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 74.15 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 74.24 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 64.14 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 73.41 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.44 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.23 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.43 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 72.24 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.04 106.006 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.35 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 74.41 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 64.34 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.15 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 74.45 109.102 165.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.22 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.12 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.13 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.11 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.43 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 74.05 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.34 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 71.15 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 74.44 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.34 107.585 168.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.11 116.534 173.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 72.03 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.34 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.01 112.923 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.03 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 52.44 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.52 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 74.42 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.14 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.22 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.22 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.44 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 71.05 106.375 159.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 74.03 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.45 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 65.34 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.15 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.24 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 73.13 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 73.55 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.41 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.15 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 73.34 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.02 108.103 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.31 110.706 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.23 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 75.44 111.072 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.13 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 73.21 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.55 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.52 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 74.34 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 70.13 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 74.52 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.32 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 74.52 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.4 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.43 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.31 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 73.34 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 52.14 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.43 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 74.1 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.24 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 73.33 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.41 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.53 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG22 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 75.25 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.15 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.545 ' H ' HG22 ' A' ' 32' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 75.15 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 75.35 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.31 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.41 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.14 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.35 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.41 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.33 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 74.12 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.32 107.785 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.34 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 73.31 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 75.34 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 73.22 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.53 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.14 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.51 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.51 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.44 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.44 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 71.44 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 73.53 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.32 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.15 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.51 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.23 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.45 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 71.53 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.33 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.32 106.721 169.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.25 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.34 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 70.21 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 73.3 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.53 108.243 -169.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.31 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.11 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 74.53 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.44 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.11 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.41 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 75.44 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.42 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 75.33 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 75.31 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 75.13 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.23 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 61.04 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.44 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.12 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.15 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.23 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.14 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 72.31 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.11 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 75.05 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.21 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 74.21 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 74.11 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.41 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 70.43 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.15 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.22 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 74.45 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 64.11 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.54 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.41 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.54 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.05 107.739 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.33 109.517 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 73.03 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.45 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.31 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.32 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.04 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.35 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.04 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.42 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.34 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.44 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.23 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.31 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 75.25 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.44 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 73.05 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.14 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.21 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 60.14 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 75.12 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.32 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.41 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 64.33 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 75.04 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.32 111.519 -171.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.348 -0.612 . . . . 74.5 109.348 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.51 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.21 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.1 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.33 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 72.44 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.4 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 73.51 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 73.41 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.44 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.43 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.42 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 75.13 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.32 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.13 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.42 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 73.3 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 73.34 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 73.41 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.53 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.13 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 71.14 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.52 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.41 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.11 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.44 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.33 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.42 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.13 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.23 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.32 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.32 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 73.41 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.11 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 74.23 106.543 173.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.32 107.842 165.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 61.15 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 64.32 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 74.22 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 73.42 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 71.32 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.44 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.45 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 74.22 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.25 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.45 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.42 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.501 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 63.12 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.53 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.22 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.13 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.567 HD21 ' HG3' ' A' ' 61' ' ' GLU . 1.3 t30 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.52 114.022 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 60' ' ' ASN . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 72.4 111.503 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.51 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.11 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 73.31 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.52 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.12 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.53 109.513 -166.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.978 -0.058 . . . . 74.05 111.13 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.03 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.15 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.14 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.03 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.03 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 74.32 110.146 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.35 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 73.34 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.35 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.44 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 73.15 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 74.04 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.32 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.45 112.657 -173.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.43 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 74.23 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 73.14 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 72.21 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.03 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 74.44 106.456 165.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.03 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.41 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.31 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.04 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 74.33 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.21 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.25 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 75.32 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.11 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.35 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.33 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 74.03 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 64.43 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.35 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 74.21 112.033 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 71.45 109.033 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.02 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.04 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 74.02 106.84 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.41 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 65.32 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.14 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.02 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.45 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.23 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.23 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 75.21 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 74.42 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 73.33 109.121 171.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.33 108.258 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.21 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.34 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.22 115.467 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 73.04 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.03 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.45 106.578 156.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 72.12 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 75.01 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.31 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.15 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 74.22 107.894 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 27.0 mmm . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.509 0.671 . . . . 72.21 109.749 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 75.43 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.04 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.41 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.11 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.52 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 75.42 108.618 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 75.04 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.24 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.43 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.43 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 71.4 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.33 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.1 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 74.41 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 74.13 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.33 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.42 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.32 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 75.14 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.11 109.085 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.31 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.24 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.42 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 74.31 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 71.14 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.23 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.12 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.24 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.4 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.02 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.43 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 75.43 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 73.33 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.2 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.32 106.971 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 74.21 108.611 173.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.42 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.1 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 75.03 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.4 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.01 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 71.41 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 72.2 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.12 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.42 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 71.12 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.43 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.43 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.481 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.23 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.24 108.575 169.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 75.14 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 74.41 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 72.02 114.768 178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.23 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.2 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.22 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 75.43 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 73.31 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.24 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 75.44 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 71.31 107.306 169.162 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 106.176 -2.77 . . . . 72.21 106.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.13 84.6 2.17 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.435 -0.95 . . . . 74.23 108.435 -141.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -139.76 63.62 1.48 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.294 2.238 . . . . 64.41 106.939 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -149.77 18.19 0.9 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.041 -1.037 . . . . 75.51 111.283 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.21 111.11 5.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.849 -1.157 . . . . 75.51 108.773 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.72 128.98 49.22 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.84 -1.541 . . . . 73.33 106.84 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -111.51 -168.77 1.35 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.071 0.949 . . . . 75.24 110.11 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.52 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.15 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.11 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 73.5 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 75.21 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.24 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.54 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.51 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.52 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.24 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 75.35 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 75.13 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.01 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.34 112.434 -170.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.31 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 73.03 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 75.41 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 63.0 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.33 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.32 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.15 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 62.43 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 74.11 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG11 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.12 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 75.35 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' H ' HG11 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 75.35 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 75.24 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.51 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 40.34 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.41 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 74.55 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.32 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.11 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.53 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.35 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 73.51 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 73.54 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 75.13 107.185 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 74.24 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.23 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.33 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.01 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 75.22 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 74.21 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 75.42 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 75.35 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 74.02 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.52 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.54 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 75.23 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.33 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 74.34 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.24 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.31 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 63.03 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.33 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 72.03 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.14 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.14 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.46 109.48 13.87 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.34 108.242 167.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.65 114.27 7.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 127.06 2.144 . . . . 63.15 106.581 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.246 0.878 0 C-N-CA 125.838 1.655 . . . . 71.13 107.972 171.524 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 109.409 -1.476 . . . . 40.42 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -79.45 -13.86 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.021 1.728 . . . . 63.24 112.403 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -65.27 1.03 1.16 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 131.53 3.932 . . . . 72.13 116.181 -169.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -108.94 52.33 0.72 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.477 -1.39 . . . . 64.42 110.645 -163.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -161.76 144.1 11.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.946 0.899 . . . . 75.53 111.873 -165.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.8 173.52 11.07 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.036 1.735 . . . . 75.11 110.131 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm -126.2 175.62 7.66 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.747 1.619 . . . . 75.24 112.53 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.34 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.41 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.44 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 72.45 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 75.25 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 72.42 110.396 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 75.43 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.15 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 74.34 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.53 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.14 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.23 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.12 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.45 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.52 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.52 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.35 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.12 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.44 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.34 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.43 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.42 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.33 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.43 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.14 105.813 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.33 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 75.12 106.111 -166.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.34 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.22 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.52 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.14 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.55 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 73.32 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 72.23 110.047 -172.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 73.31 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 62.53 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.52 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 71.12 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.54 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.42 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 63.23 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 73.33 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.15 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 72.23 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.12 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.45 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.33 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 74.25 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 74.24 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.42 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 73.22 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.43 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.54 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.44 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 73.41 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.51 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 74.24 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.13 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.18 121.64 19.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.45 106.981 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.94 108.48 25.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 106.47 -1.678 . . . . 75.43 106.47 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.536 1.534 . . . . 73.43 107.119 162.167 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.516 0 N-CA-C 108.746 -1.742 . . . . 75.14 108.746 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 45.43 72.08 0.24 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 127.238 2.215 . . . . 74.4 112.771 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -145.25 -67.15 0.31 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.17 2.188 . . . . 74.14 107.744 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.4 28.87 0.56 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.715 1.206 . . . . 72.22 111.182 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -127.78 82.36 2.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.782 1.233 . . . . 75.31 112.527 -158.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.06 147.5 44.05 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.094 0.958 . . . . 72.44 108.546 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm -72.16 178.16 4.01 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.474 1.11 . . . . 63.44 109.01 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 73.24 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.31 107.476 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 74.12 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.42 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.42 109.18 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.05 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.31 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.34 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.43 111.174 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 74.45 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.45 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.02 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.41 113.222 -166.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.02 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 75.43 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.15 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 43.15 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 74.11 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.42 107.551 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.01 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.21 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 73.33 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.35 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 64.45 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.24 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 74.44 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.35 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.34 107.686 170.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.43 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.44 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 73.41 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.13 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 75.24 108.125 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 74.21 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.32 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 61.43 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.21 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 75.11 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.42 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.41 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.11 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.24 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.01 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.53 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 74.15 106.639 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 73.12 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.22 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 75.33 109.921 167.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.31 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.31 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.33 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.15 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 74.24 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 75.15 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 74.44 109.46 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.11 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 75.25 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.33 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.31 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 115.75 31.23 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.35 108.235 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 98.09 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 106.194 -1.78 . . . . 73.24 106.194 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 116.724 -1.608 . . . . 74.33 110.483 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.411 -1.076 . . . . 72.13 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.82 179.77 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.077 1.751 . . . . 75.13 111.266 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 44.81 63.65 1.64 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.759 3.224 . . . . 74.23 113.898 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -150.89 37.49 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.477 1.111 . . . . 74.25 110.516 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -71.33 -177.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.777 1.231 . . . . 64.51 112.719 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.83 172.83 12.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.972 1.709 . . . . 74.54 110.659 172.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm -95.25 161.47 14.09 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.336 1.055 . . . . 73.42 109.521 165.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.24 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.22 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 55.24 108.515 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.34 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 73.51 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 74.32 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 74.11 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.35 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.51 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 74.31 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.11 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 75.14 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.12 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.41 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 71.43 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.44 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.43 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.14 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.42 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 74.23 105.985 172.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 74.31 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.04 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 63.22 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 65.12 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 75.23 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.25 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.15 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 74.25 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 73.35 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 71.14 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 74.42 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 70.12 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.24 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 62.14 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 74.21 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 73.44 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.44 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 65.22 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 71.01 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 74.43 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 75.44 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.01 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 61.22 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 74.35 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 71.42 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 75.34 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 71.43 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 72.12 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 64.14 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.12 114.404 161.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.22 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.32 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 75.33 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 73.33 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 75.43 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.24 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.15 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -66.3 127.12 30.99 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.31 110.496 173.373 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.54 104.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 103.228 -2.878 . . . . 74.15 103.228 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.25 1.125 0 C-N-CA 126.093 1.757 . . . . 74.25 110.013 -169.556 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 N-CA-C 107.301 -2.32 . . . . 62.31 107.301 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 7.83 41.76 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.811 0.671 . . . . 73.43 112.811 -164.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -103.14 98.11 8.1 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.786 -1.19 . . . . 71.41 107.786 154.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -159.81 39.61 0.19 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.131 1.772 . . . . 75.33 107.606 156.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -77.92 114.04 16.4 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.066 -1.646 . . . . 75.43 109.332 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 mt -110.18 132.31 54.28 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.003 -1.48 . . . . 75.44 107.003 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm -73.93 174.91 7.88 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.264 0.626 . . . . 72.12 110.412 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 73.45 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 74.34 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.55 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.41 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.24 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 74.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 71.33 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.45 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 75.33 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 73.11 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 75.55 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.31 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.51 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 74.41 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.4 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.53 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.54 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.34 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 74.13 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.42 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 52.43 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.51 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.53 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 HG13 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 74.33 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 71.31 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.13 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 73.44 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.52 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 61.12 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 74.54 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.24 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.43 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.35 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.32 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 74.35 109.557 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.22 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.13 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.3 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.14 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.43 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.14 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.4 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.13 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.22 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.2 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 75.1 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 75.44 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.11 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 74.15 105.199 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 75.31 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.34 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t30 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.41 116.45 -175.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.43 111.337 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.13 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.54 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 70.54 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 72.51 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 73.32 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.43 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.5 112.78 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.44 110.643 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -142.28 119.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 106.872 -1.529 . . . . 75.23 106.872 171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.402 1.481 . . . . 74.52 108.512 163.499 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.773 0 N-CA-C 107.36 -2.296 . . . . 61.23 107.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.46 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 127.531 2.332 . . . . 65.33 107.153 -158.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.51 -79.63 0.16 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.875 0.47 . . . . 73.2 111.017 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -150.27 8.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.624 -1.298 . . . . 74.3 113.707 -173.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.83 46.48 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.411 1.634 . . . . 63.23 115.411 -163.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.0 mt -139.47 108.56 6.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.228 -1.768 . . . . 73.3 106.228 -164.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm -83.53 164.81 19.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.827 0.74 . . . . 62.33 109.557 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.34 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 73.33 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.02 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.1 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.34 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.21 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 65.42 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 74.31 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 72.33 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.24 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.33 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 72.34 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.14 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 73.23 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.41 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.43 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.41 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 64.13 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.44 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.53 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 71.43 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 71.22 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.44 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.23 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.33 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.24 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.01 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.42 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.41 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 65.22 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 73.3 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.1 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.3 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 73.33 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.11 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.44 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.41 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 73.25 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 73.22 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.23 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 65.51 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.33 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 74.23 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.42 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 74.15 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.41 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 74.53 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.44 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.42 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 64.2 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.21 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.31 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.14 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 73.02 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.13 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 73.12 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 74.14 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 74.15 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -87.46 58.28 4.87 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.55 109.264 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 t -132.22 79.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 105.827 -1.916 . . . . 74.21 105.827 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.057 0.943 . . . . 72.31 108.469 176.298 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 CA-C-O 120.084 -0.286 . . . . 51.43 112.759 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.68 158.22 3.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 117.973 0.887 . . . . 73.55 111.088 167.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -135.96 -50.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.834 2.053 . . . . 74.14 108.947 168.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -163.5 83.81 0.47 Allowed 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.455 -0.942 . . . . 74.22 108.455 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -176.8 6.08 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.407 1.483 . . . . 74.21 109.177 174.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.7 mt -110.44 130.78 55.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.121 1.368 . . . . 74.23 107.931 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm -71.5 176.22 4.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.613 0.642 . . . . 73.44 110.044 171.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.52 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.54 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 72.13 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.52 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.42 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 74.22 110.31 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.54 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.4 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 72.14 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.53 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.14 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.14 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 71.13 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 74.2 113.452 -169.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.34 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.14 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 74.3 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.53 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 70.41 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 73.1 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 73.14 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.53 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 72.4 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 72.51 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 73.21 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.42 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 65.25 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.42 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.44 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.21 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.53 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 73.32 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.45 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.1 108.46 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.13 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.24 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 54.11 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.51 105.344 167.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.31 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 74.24 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.34 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.54 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.55 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.43 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.45 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.43 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.12 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.14 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 73.24 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.53 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.23 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.23 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.05 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.42 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.21 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 72.22 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.43 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.54 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.42 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.9 105.41 9.07 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 72.31 108.827 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.17 26.83 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.128 1.371 . . . . 74.22 111.215 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.469 2.707 . . . . 74.31 112.012 -163.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.706 0 N-CA-C 108.314 -1.914 . . . . 55.41 108.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.21 86.97 6.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.005 -1.48 . . . . 75.1 107.005 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -90.03 74.44 7.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 106.349 -1.723 . . . . 73.24 106.349 153.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 173.56 9.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.258 2.223 . . . . 72.53 112.112 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -74.58 80.17 1.98 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.984 1.265 . . . . 74.25 109.217 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.39 172.82 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.454 1.102 . . . . 75.52 110.738 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm -91.85 172.52 8.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.609 1.563 . . . . 71.51 109.994 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.24 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 73.32 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.13 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.13 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 62.44 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 74.51 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.12 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 74.52 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 74.12 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.14 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 63.41 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.31 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 75.0 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.04 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.4 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 73.02 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 72.24 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 64.02 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.42 107.357 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.32 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.33 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.52 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.54 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 72.41 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.4 111.739 168.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' H ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.4 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.24 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.44 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 55.21 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.42 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.34 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.14 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.54 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 75.34 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 73.42 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.24 113.383 162.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.52 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 75.3 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.21 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 75.1 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.34 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.43 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 63.51 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 74.12 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.41 109.778 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.24 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 72.31 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 73.2 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 72.51 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.4 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.55 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.31 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 73.1 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.33 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 73.02 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 72.02 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.04 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.34 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.32 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 110.04 18.63 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.13 108.91 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.5 m -126.38 73.05 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 122.167 0.984 . . . . 72.42 108.834 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.25 -0.881 . . . . 74.35 109.323 172.5 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 107.827 -2.109 . . . . 72.33 107.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.44 10.91 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.959 0.885 . . . . 54.42 109.06 -135.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -120.23 90.87 3.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 127.609 2.364 . . . . 71.24 107.033 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -157.22 59.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.971 0.908 . . . . 72.32 110.084 -173.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -139.66 130.46 26.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.68 1.592 . . . . 62.01 111.135 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -129.42 159.88 34.85 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.069 1.348 . . . . 74.41 110.309 172.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.35 175.92 8.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.001 2.12 . . . . 72.41 109.757 164.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.45 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 71.21 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.23 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.32 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 74.43 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 75.2 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.44 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.2 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 73.32 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 70.41 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 71.43 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.43 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.3 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 74.13 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 65.4 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.4 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.14 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 73.12 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 75.4 109.379 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.12 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.3 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.2 107.87 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.04 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 75.43 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.11 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 74.23 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 74.12 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 74.01 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.43 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 71.41 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.31 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.22 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 64.43 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 70.22 109.663 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.23 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 74.44 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.22 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.44 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.01 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.4 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.22 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.43 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.13 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 53.4 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.1 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 74.21 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.24 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.11 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.43 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.24 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.12 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.04 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.24 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.31 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 73.34 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.44 115.044 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.11 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 72.23 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.65 95.36 0.65 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.04 108.19 165.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -123.17 92.56 2.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 124.249 1.019 . . . . 73.24 109.638 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 106.868 -1.53 . . . . 73.34 106.868 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.763 0 N-CA-C 108.858 -1.697 . . . . 71.45 108.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 52.91 -155.1 0.2 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.049 1.34 . . . . 73.54 108.845 -176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -130.68 -81.48 0.54 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.966 -1.124 . . . . 73.31 107.966 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -128.68 63.32 1.46 Allowed 'General case' 0 C--O 1.24 0.582 0 C-N-CA 125.173 1.389 . . . . 74.53 108.313 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -151.36 167.2 28.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.233 1.413 . . . . 74.22 111.245 -172.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.56 172.64 9.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.124 2.17 . . . . 74.11 109.578 162.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm -95.2 169.5 10.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.943 0.897 . . . . 74.22 110.414 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.13 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 73.12 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.23 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.12 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 72.43 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 72.04 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 75.43 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 75.04 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.4 112.492 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 75.14 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.01 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.44 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 64.22 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.3 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 75.43 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.42 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.42 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.23 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 75.33 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.03 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.3 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.23 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 74.11 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG13 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 74.24 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.24 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.53 ' H ' HG13 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 52.05 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 72.45 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.15 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 74.42 113.147 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.44 108.295 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 74.44 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 70.25 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 74.44 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 64.23 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 64.31 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 71.45 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG22 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.33 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.2 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 72.2 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.13 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.31 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.3 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.44 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.33 108.21 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 74.31 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 72.02 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 74.02 104.154 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 74.44 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.24 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 70.31 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 71.15 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 74.03 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.42 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.33 109.248 -166.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 70.11 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.35 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 70.01 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.44 108.8 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.02 108.106 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.13 97.6 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 107.376 -1.342 . . . . 73.24 107.376 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.249 1.07 0 N-CA-C 105.031 -2.211 . . . . 74.44 105.031 152.106 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.751 0 N-CA-C 110.01 -1.236 . . . . 64.22 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -150.03 -176.78 5.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.543 1.937 . . . . 74.05 107.29 161.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.47 -76.14 0.5 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.958 2.103 . . . . 63.25 106.164 -165.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -153.03 77.61 1.16 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.106 1.763 . . . . 73.14 107.169 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -157.75 97.05 1.54 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.349 -0.982 . . . . 73.33 108.349 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -126.91 101.8 6.73 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.075 0.95 . . . . 74.32 108.495 -173.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm -82.41 178.64 8.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 122.099 0.952 . . . . 72.04 111.342 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 12' ' ' GLU . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.35 110.213 170.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.55 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.54 108.351 169.321 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 74.55 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' A' ' 8' ' ' LYS . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.33 110.683 -175.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 73.11 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 75.45 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.23 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 74.15 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.12 111.415 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 75.14 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.51 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.33 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 71.21 112.698 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.32 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.44 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 74.12 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.22 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.31 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.44 108.434 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.42 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 75.31 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 74.53 104.17 157.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.11 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.541 ' CG2' ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 73.23 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.24 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 72.24 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 10' ' ' GLN . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.51 107.383 174.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.14 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 71.33 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 63.15 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 75.24 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 74.43 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.55 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 75.43 107.128 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.34 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.5 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.22 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.3 109.008 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 75.22 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.34 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 75.44 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.31 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.3 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.21 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.1 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.24 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 75.22 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 74.41 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.51 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 53.43 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 53.12 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.45 113.373 164.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.31 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.11 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 75.21 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 75.51 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.54 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.34 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 55.32 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.44 137.36 56.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.13 110.54 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -142.78 99.22 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 107.207 -1.405 . . . . 75.31 107.207 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.337 1.855 . . . . 75.31 109.619 -175.698 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 108.354 -1.898 . . . . 75.43 108.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.37 18.39 2.23 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.547 1.165 . . . . 75.23 109.664 172.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -149.61 101.59 3.09 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 119.686 -1.884 . . . . 64.32 106.306 -173.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -154.93 88.3 1.18 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.454 -1.313 . . . . 73.41 107.454 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.95 152.04 38.78 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.997 0.919 . . . . 74.03 109.217 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -129.15 157.17 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.027 -1.471 . . . . 74.41 107.027 157.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 165.34 24.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.57 -0.9 . . . . 64.1 108.57 153.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 74.42 108.576 166.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 70.3 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.32 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.14 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 71.21 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.33 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 71.44 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.44 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.23 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 72.24 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.53 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 73.54 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.21 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 75.33 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.43 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.13 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 72.34 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.44 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.24 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.45 109.218 171.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 71.34 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.42 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 73.22 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 75.33 106.069 -173.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.53 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.2 107.389 -172.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 74.24 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.23 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.14 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 73.03 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.53 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 72.4 109.121 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.52 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 75.54 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 74.4 109.884 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 71.52 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 75.44 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.41 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.2 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.33 109.934 -166.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.44 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.45 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 71.41 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 73.54 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.53 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.22 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.3 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 75.33 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 75.5 105.871 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.44 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 75.32 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.53 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.32 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 75.2 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 75.21 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.24 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.4 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.1 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.11 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -79.09 118.5 21.12 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.4 108.819 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.23 86.3 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 106.651 -1.611 . . . . 75.54 106.651 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.414 1.486 . . . . 75.15 109.814 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 110.051 -1.219 . . . . 61.35 110.051 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -44.59 153.87 0.15 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.448 -0.376 . . . . 71.22 110.748 133.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -169.55 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.117 -1.438 . . . . 71.52 107.117 160.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -158.69 38.24 0.23 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.888 1.275 . . . . 73.35 110.283 -173.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -82.49 27.49 0.51 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.13 0.972 . . . . 74.13 113.244 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.4 mt -132.33 158.03 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.572 0.749 . . . . 72.11 110.307 -153.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm -76.42 173.34 11.6 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.439 -0.8 . . . . 75.45 110.024 165.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.42 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 62.51 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 72.43 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.52 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 75.22 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.43 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 75.15 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.35 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.43 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.53 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 75.41 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 42.14 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.24 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.03 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 74.53 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.01 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 73.44 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.41 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.24 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.43 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 64.1 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.3 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.13 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.14 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 72.44 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.33 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.14 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.55 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 75.53 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 73.32 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.13 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.13 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 73.21 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 72.43 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 55.02 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 74.34 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 72.53 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.01 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.3 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 75.14 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.43 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.1 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.34 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.42 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 65.03 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 75.01 107.248 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.12 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.24 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.13 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 71.43 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.31 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.43 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.14 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.35 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.31 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 71.53 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.04 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.1 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.23 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 74.11 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.9 91.84 3.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.33 107.159 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.87 85.52 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 104.861 -2.274 . . . . 73.01 104.861 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.245 0.864 0 C-N-CA 126.234 1.814 . . . . 74.43 109.409 -174.283 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 107.665 -2.174 . . . . 73.12 107.665 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.68 159.91 18.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.112 0.956 . . . . 72.32 108.879 160.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.93 1.39 1.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.215 1.006 . . . . 74.41 113.308 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.06 35.9 4.73 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.2 0.909 . . . . 74.01 109.597 -164.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -146.17 101.65 3.53 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.528 1.131 . . . . 75.12 107.951 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -107.04 154.13 21.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.309 1.443 . . . . 75.4 108.489 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm -90.05 168.97 11.58 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.778 1.231 . . . . 73.4 109.457 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 75.1 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.33 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 74.31 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.11 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 74.04 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 61.1 110.648 -173.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 64.54 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.32 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 74.5 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 73.54 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.55 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 72.4 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 73.13 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.55 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 74.31 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.11 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 75.42 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.15 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 74.42 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 74.32 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 65.45 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.32 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 72.23 104.88 163.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.15 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.14 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.41 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 71.2 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 37' ' ' SER . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.42 105.618 171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 73.4 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 35' ' ' TYR . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.42 112.636 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.12 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.23 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.22 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.01 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.33 109.045 -173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 74.13 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 53.04 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.24 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.44 109.545 -170.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 75.51 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.41 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.33 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 62.52 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.34 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 72.21 106.128 174.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 74.25 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.42 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.15 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.1 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.42 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.53 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 73.31 113.074 -176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.3 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.21 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.24 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 75.34 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.11 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.54 111.562 168.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 73.41 107.052 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -110.27 109.74 20.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.41 107.098 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.63 107.83 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 114.96 -1.018 . . . . 73.42 108.455 -171.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.245 0.835 0 C-N-CA 126.457 1.903 . . . . 71.25 107.952 162.689 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.731 0 N-CA-C 108.85 -1.7 . . . . 45.35 108.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 48.12 0.98 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.989 2.116 . . . . 74.21 110.667 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -141.89 55.95 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.397 1.479 . . . . 74.13 109.846 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 18.78 2.5 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 125.752 1.621 . . . . 71.32 109.952 -172.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -143.32 100.78 3.68 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.543 1.537 . . . . 73.14 109.784 -171.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.7 mt -116.87 162.72 17.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.747 2.019 . . . . 74.21 108.609 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm -78.37 -177.99 5.51 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.776 1.63 . . . . 70.43 111.538 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 72.43 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.23 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 71.43 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 72.04 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.01 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.41 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 72.12 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.45 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 73.21 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.32 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.02 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.14 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 74.15 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 74.24 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 64.14 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 73.41 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.44 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.23 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.43 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 72.24 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.04 106.006 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.35 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 74.41 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 64.34 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.15 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 74.45 109.102 165.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.22 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.12 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.13 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.11 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.43 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 74.05 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.34 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 71.15 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 74.44 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.34 107.585 168.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.11 116.534 173.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 72.03 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.34 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.01 112.923 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.03 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 52.44 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.52 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 74.42 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.14 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.22 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.22 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.44 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 71.05 106.375 159.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 74.03 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.45 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 65.34 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.15 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.24 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 73.13 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 73.55 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.41 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.15 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 73.34 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.71 102.36 10.18 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.02 108.103 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -157.47 24.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 121.473 0.654 . . . . 70.22 110.877 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.378 1.871 . . . . 73.31 111.019 -163.49 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.045 0 N-CA-C 110.193 -1.163 . . . . 53.35 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -125.82 2.62 7.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.994 1.717 . . . . 73.14 112.351 -153.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.6 68.27 0.71 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 123.647 1.689 . . . . 73.24 107.824 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -138.05 35.22 2.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.324 1.85 . . . . 74.33 107.577 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -89.98 86.15 6.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 126.377 1.871 . . . . 74.52 108.868 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.4 mt -101.19 135.7 42.23 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.204 -1.406 . . . . 75.11 107.204 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm -72.6 -178.75 2.75 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.31 110.706 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.23 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 75.44 111.072 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.13 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 73.21 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.55 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.52 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 74.34 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 70.13 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 74.52 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.32 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 74.52 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.4 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.43 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.31 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 73.34 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 52.14 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.43 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 74.1 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.24 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 73.33 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.41 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.53 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG22 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 75.25 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.15 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.545 ' H ' HG22 ' A' ' 32' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 75.15 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 75.35 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.31 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.41 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.14 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.35 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.41 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.33 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 74.12 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.32 107.785 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.34 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 73.31 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 75.34 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 73.22 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.53 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.14 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.51 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.51 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.44 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.44 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 71.44 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 73.53 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.32 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.15 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.51 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.23 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.45 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 71.53 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.33 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.32 106.721 169.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.25 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.34 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 70.21 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 73.3 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.37 109.88 21.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.53 108.243 -169.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -132.26 24.42 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 123.125 0.57 . . . . 72.54 112.067 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.251 1.161 0 N-CA-C 107.176 -1.416 . . . . 72.11 107.176 175.254 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.537 0 N-CA-C 107.831 -2.108 . . . . 55.2 107.831 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -135.86 160.56 38.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 122.661 1.22 . . . . 62.42 109.345 169.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.4 -10.47 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.294 2.238 . . . . 73.53 110.924 -152.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -140.53 68.66 1.35 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.837 -1.171 . . . . 75.24 107.837 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -154.56 110.75 3.23 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.099 1.76 . . . . 74.13 107.132 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -127.54 128.73 46.13 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.371 1.068 . . . . 75.1 108.362 -172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm -73.82 175.57 7.14 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.31 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.11 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 74.53 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.44 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.11 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.41 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 75.44 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.42 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 75.33 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 75.31 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 75.13 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.23 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 61.04 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.44 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.12 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.15 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.23 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.14 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 72.31 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.11 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 75.05 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.21 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 74.21 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 74.11 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.41 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 70.43 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.15 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.22 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 74.45 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 64.11 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.54 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.41 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.54 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.05 107.739 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.33 109.517 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 73.03 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.45 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.31 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.32 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.04 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.35 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.04 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.42 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.34 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.44 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.23 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.31 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 75.25 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.44 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 73.05 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.14 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.21 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 60.14 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 75.12 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.32 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.41 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 64.33 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 75.04 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.67 37.71 0.54 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.32 111.519 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.17 121.43 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 107.244 -1.391 . . . . 64.33 107.244 166.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.406 1.482 . . . . 73.05 108.431 169.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 108.874 -1.69 . . . . 75.34 108.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.56 -168.68 1.9 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 125.224 1.41 . . . . 75.54 109.25 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 72.35 101.46 0.07 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.461 2.304 . . . . 72.3 109.446 -167.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.5 6.47 0.74 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 114.188 1.181 . . . . 75.53 114.188 173.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -125.64 90.78 3.27 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.268 1.427 . . . . 72.14 110.07 -167.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.19 160.91 14.11 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.138 -0.69 . . . . 63.53 109.138 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.71 162.29 17.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.132 1.373 . . . . 74.5 109.348 170.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.51 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.21 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.1 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.33 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 72.44 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.4 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 73.51 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 73.41 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.44 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.43 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.42 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 75.13 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.32 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.13 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.42 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 73.3 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 73.34 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 73.41 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.53 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.13 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 71.14 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.52 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.41 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.11 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.44 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.33 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.42 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.13 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.23 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.32 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.32 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 73.41 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.11 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 74.23 106.543 173.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.32 107.842 165.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 61.15 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 64.32 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 74.22 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 73.42 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 71.32 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.44 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.45 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 74.22 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.25 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.45 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.42 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.501 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 63.12 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.53 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.22 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.13 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.567 HD21 ' HG3' ' A' ' 61' ' ' GLU . 1.3 t30 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.52 114.022 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 60' ' ' ASN . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 72.4 111.503 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.51 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.11 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 73.31 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.52 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.12 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.95 76.62 9.37 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.53 109.513 -166.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -84.6 80.57 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 O-C-N 121.789 -0.569 . . . . 64.32 110.342 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--O 1.246 0.909 0 C-N-CA 129.296 3.038 . . . . 73.42 113.006 156.479 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 106.347 -2.701 . . . . 62.12 106.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 140.72 53.03 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.984 -1.858 . . . . 74.14 105.984 133.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -142.64 97.67 3.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 118.886 0.766 . . . . 74.35 110.515 -165.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -130.87 18.16 5.11 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.394 1.878 . . . . 73.11 110.371 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -69.85 97.97 1.18 Allowed 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.657 1.183 . . . . 74.33 110.623 -166.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.44 163.23 24.53 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.382 1.073 . . . . 64.11 109.091 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm -135.9 177.57 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.178 1.391 . . . . 74.05 111.13 -170.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.03 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.15 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.14 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.03 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.03 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 74.32 110.146 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.35 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 73.34 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.35 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.44 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 73.15 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 74.04 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.32 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.45 112.657 -173.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.43 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 74.23 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 73.14 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 72.21 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.03 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 74.44 106.456 165.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.03 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.41 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.31 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.04 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 74.33 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.21 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.25 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 75.32 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.11 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.35 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.33 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 74.03 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 64.43 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.35 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 74.21 112.033 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 71.45 109.033 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.02 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.04 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 74.02 106.84 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.41 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 65.32 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.14 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.02 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.45 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.23 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.23 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 75.21 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 74.42 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 73.33 109.121 171.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.33 108.258 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.21 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.34 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.22 115.467 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 73.04 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.03 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.45 106.578 156.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 72.12 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 75.01 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.31 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.15 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.3 77.47 8.95 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 74.22 107.894 177.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.1 112.26 12.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 106.698 -1.593 . . . . 75.35 106.698 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.252 1.21 0 N-CA-C 106.729 -1.582 . . . . 74.13 106.729 165.725 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' HA2' ' OD2' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 109.371 -1.491 . . . . 74.3 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 t70 60.97 71.4 0.56 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 123.811 1.767 . . . . 75.24 107.484 -161.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' OD2' ' HA2' ' A' ' 1' ' ' GLY . 1.8 p30 -136.63 24.07 3.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.921 1.689 . . . . 74.03 111.47 -156.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -144.81 3.33 1.08 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.786 1.234 . . . . 75.42 111.13 -163.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -119.58 87.08 2.67 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 124.869 1.268 . . . . 75.04 109.517 -164.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.14 150.49 45.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.371 -0.974 . . . . 74.04 108.371 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 27.0 mmm -86.25 165.16 16.7 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.273 1.429 . . . . 72.21 109.749 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 75.43 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.04 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.41 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.11 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.52 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 75.42 108.618 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 75.04 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.24 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.43 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.43 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 71.4 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.33 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.1 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 74.41 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 74.13 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.33 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.42 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.32 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 75.14 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.11 109.085 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.31 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.24 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.42 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 74.31 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 71.14 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.23 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.12 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.24 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.4 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.02 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.43 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 75.43 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 73.33 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.2 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.32 106.971 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 74.21 108.611 173.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.42 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.1 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 75.03 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.4 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.01 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 71.41 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 72.2 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.12 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.42 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 71.12 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.43 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.43 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.481 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.23 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.24 108.575 169.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 75.14 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 74.41 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 72.02 114.768 178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.23 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.2 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.22 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 75.43 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 73.31 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.24 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 75.44 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.57 123.08 47.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 71.31 107.306 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.66 103.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 106.587 -1.635 . . . . 64.33 106.587 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.441 -1.266 . . . . 75.44 108.144 179.135 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.034 0.445 . . . . 75.239999999999995 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.519999999999996 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.150000000000006 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.109999999999999 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 63.439999999999998 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 73.310000000000002 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.239999999999995 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.540000000000006 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.510000000000005 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.519999999999996 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.239999999999995 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 73.310000000000002 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 73.209999999999994 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.010000000000005 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.030000000000001 112.434 -170.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.310000000000002 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 44.329999999999998 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 74.420000000000002 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 61.329999999999998 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.329999999999998 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.319999999999993 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.150000000000006 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 52.240000000000002 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 72.150000000000006 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.120000000000005 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 72.530000000000001 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.6 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 54.32 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 72.549999999999997 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.510000000000005 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 34.310000000000002 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.409999999999997 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 54.149999999999999 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.319999999999993 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.109999999999999 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.530000000000001 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.349999999999994 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 64.450000000000003 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 35.240000000000002 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 73.030000000000001 107.185 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 73.549999999999997 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.019999999999996 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.329999999999998 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.010000000000005 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 22.199999999999999 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 72.349999999999994 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 74.450000000000003 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 74.319999999999993 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 60.409999999999997 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.519999999999996 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.540000000000006 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 74.230000000000004 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.329999999999998 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 72.519999999999996 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.239999999999995 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.310000000000002 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 62.329999999999998 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.329999999999998 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 64.439999999999998 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.140000000000001 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.140000000000001 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.340000000000003 108.242 167.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.413 0.625 . . . . 75.239999999999995 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.340000000000003 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.409999999999997 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.439999999999998 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 71.310000000000002 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 73.310000000000002 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 42' ' ' LEU . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 63.409999999999997 110.396 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 64.409999999999997 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.150000000000006 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 62.450000000000003 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.439999999999998 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.140000000000001 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.229999999999997 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.120000000000005 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.450000000000003 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.519999999999996 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.519999999999996 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.349999999999994 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.120000000000005 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.439999999999998 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.340000000000003 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.430000000000007 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.420000000000002 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.329999999999998 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.430000000000007 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 34' ' ' VAL . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.140000000000001 105.813 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.329999999999998 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.619 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 73.439999999999998 106.111 -166.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.340000000000003 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.219999999999999 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.519999999999996 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.140000000000001 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.549999999999997 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 64.329999999999998 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 32' ' ' VAL . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 40.030000000000001 110.047 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 63.140000000000001 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 41.329999999999998 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.519999999999996 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 53.420000000000002 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.540000000000006 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.420000000000002 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 61.310000000000002 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 60.310000000000002 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.150000000000006 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 71.109999999999999 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.120000000000005 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.219999999999999 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.329999999999998 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 63.149999999999999 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 72.319999999999993 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.420000000000002 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 44.109999999999999 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.430000000000007 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.540000000000006 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.439999999999998 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 63.119999999999997 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.510000000000005 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 71.519999999999996 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.130000000000003 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.329999999999998 106.981 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.01 -0.737 . . . . 63.439999999999998 109.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 42.310000000000002 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.412 ' H ' ' HB2' ' A' ' 12' ' ' GLU . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.310000000000002 107.476 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 71.25 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.420000000000002 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB2' ' H ' ' A' ' 9' ' ' THR . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.420000000000002 109.18 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.049999999999997 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.310000000000002 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.340000000000003 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 56' ' ' PHE . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.219999999999999 111.174 173.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 62.149999999999999 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.450000000000003 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.019999999999996 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.409999999999997 113.222 -166.073 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.019999999999996 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 64.340000000000003 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.150000000000006 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 35.439999999999998 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 72.109999999999999 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 21' ' ' PHE . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.420000000000002 107.551 168.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.009999999999998 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.209999999999994 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 60.450000000000003 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.349999999999994 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 51.520000000000003 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.239999999999995 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 63.25 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.349999999999994 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.340000000000003 107.686 170.027 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.430000000000007 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.439999999999998 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 72.329999999999998 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.129999999999995 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 63.420000000000002 108.125 -174.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 62.340000000000003 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.319999999999993 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 55.520000000000003 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.209999999999994 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 60.310000000000002 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.420000000000002 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.150000000000006 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.109999999999999 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.239999999999995 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.010000000000005 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.530000000000001 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 71.450000000000003 106.639 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 72.420000000000002 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.219999999999999 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 73.030000000000001 109.921 167.742 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.25 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.310000000000002 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.329999999999998 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.149999999999999 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 63.25 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 74.120000000000005 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 71.049999999999997 109.46 177.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.109999999999999 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 53.130000000000003 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.329999999999998 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.310000000000002 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.349999999999994 108.235 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.521 -0.548 . . . . 72.530000000000001 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.239999999999995 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.219999999999999 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 44.32 108.515 169.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.340000000000003 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 72.540000000000006 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 72.530000000000001 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 64.150000000000006 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.350000000000001 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.510000000000005 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 52.350000000000001 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.109999999999999 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 64.519999999999996 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.120000000000005 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.409999999999997 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 51.329999999999998 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.439999999999998 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.430000000000007 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.140000000000001 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.420000000000002 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 21' ' ' PHE . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 42.520000000000003 105.985 172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 72.219999999999999 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.040000000000006 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 54.509999999999998 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 64.040000000000006 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 63.310000000000002 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.239999999999995 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.564 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.150000000000006 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 63.149999999999999 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 70.430000000000007 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 63.130000000000003 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 62.219999999999999 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 42.450000000000003 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.239999999999995 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 61.43 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 72.219999999999999 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 71.430000000000007 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.439999999999998 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 61.450000000000003 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 41.539999999999999 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 73.019999999999996 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 73.019999999999996 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.010000000000005 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 32.119999999999997 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 63.109999999999999 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 64.030000000000001 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 52.549999999999997 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 65.120000000000005 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 71.349999999999994 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 52.32 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.120000000000005 114.404 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.219999999999999 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.319999999999993 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 52.049999999999997 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 55.119999999999997 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 72.420000000000002 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.239999999999995 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.150000000000006 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.310000000000002 110.496 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.574 0.226 . . . . 55.329999999999998 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 63.310000000000002 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 60.310000000000002 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.549999999999997 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.409999999999997 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.240000000000002 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 63.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 63.229999999999997 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.450000000000003 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 71.549999999999997 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 44.149999999999999 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 62.210000000000001 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.310000000000002 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.510000000000005 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 64.099999999999994 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.400000000000006 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.25 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.540000000000006 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.340000000000003 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 71.129999999999995 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.340000000000003 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 42.299999999999997 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.510000000000005 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.530000000000001 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 73.409999999999997 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 61.409999999999997 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.707 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.129999999999995 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 55.149999999999999 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.519999999999996 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 53.240000000000002 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 55.049999999999997 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.239999999999995 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.409999999999997 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.349999999999994 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.319999999999993 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 57' ' ' VAL . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 54.329999999999998 109.557 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.219999999999999 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.129999999999995 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.299999999999997 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.140000000000001 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.430000000000007 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.140000000000001 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.400000000000006 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.129999999999995 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.219999999999999 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.200000000000003 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 74.510000000000005 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 73.230000000000004 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.109999999999999 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 63.219999999999999 105.199 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 63.509999999999998 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.340000000000003 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.209999999999994 116.45 -175.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.430000000000007 111.337 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.129999999999995 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.540000000000006 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 43.409999999999997 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 62.25 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 62.119999999999997 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.430000000000007 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.439999999999998 110.643 -168.304 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 C--O 1.238 0.482 0 N-CA-C 109.557 -0.534 . . . . 62.329999999999998 109.557 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.340000000000003 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 70.040000000000006 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.019999999999996 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.099999999999994 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.340000000000003 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.209999999999994 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 64.040000000000006 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 70.019999999999996 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 63.030000000000001 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.109999999999999 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.329999999999998 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 71.010000000000005 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.140000000000001 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 70.239999999999995 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.409999999999997 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.430000000000007 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.409999999999997 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 51.420000000000002 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.439999999999998 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.530000000000001 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 63.350000000000001 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 50.350000000000001 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.200000000000003 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.230000000000004 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.329999999999998 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.239999999999995 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.010000000000005 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.420000000000002 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.409999999999997 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 61.039999999999999 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 52.5 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.099999999999994 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.299999999999997 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 72.209999999999994 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.109999999999999 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.439999999999998 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.409999999999997 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 43.420000000000002 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 72.549999999999997 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.230000000000004 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 41.049999999999997 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.329999999999998 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 52.109999999999999 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.129999999999995 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 62.329999999999998 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.409999999999997 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 73.230000000000004 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.439999999999998 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.099999999999994 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 51.539999999999999 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.209999999999994 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.310000000000002 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.140000000000001 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 63.210000000000001 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.129999999999995 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 72.319999999999993 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 73.540000000000006 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 71.530000000000001 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.549999999999997 109.264 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm . . . . . 0 C--O 1.239 0.503 0 CA-C-O 121.382 0.61 . . . . 73.439999999999998 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.519999999999996 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.540000000000006 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 71.519999999999996 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.519999999999996 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.420000000000002 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 65.099999999999994 110.31 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.540000000000006 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.399999999999999 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 64.430000000000007 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.530000000000001 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.140000000000001 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.140000000000001 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 63.420000000000002 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 73.030000000000001 113.452 -169.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.340000000000003 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.140000000000001 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 71.439999999999998 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.530000000000001 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 63.219999999999999 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 63.210000000000001 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 52.200000000000003 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.530000000000001 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 63.299999999999997 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 44.240000000000002 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 61.229999999999997 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.420000000000002 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.622 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 64.450000000000003 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.310000000000002 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.439999999999998 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.209999999999994 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.530000000000001 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 54.030000000000001 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.450000000000003 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.099999999999994 108.46 -178.484 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.129999999999995 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.240000000000002 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 23.129999999999999 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 21' ' ' PHE . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.510000000000005 105.344 167.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.310000000000002 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 65.230000000000004 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.340000000000003 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.540000000000006 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.549999999999997 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.430000000000007 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.450000000000003 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.430000000000007 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.120000000000005 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.140000000000001 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 72.319999999999993 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.530000000000001 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.230000000000004 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.230000000000004 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.049999999999997 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.420000000000002 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.209999999999994 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 70.109999999999999 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.430000000000007 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.540000000000006 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.420000000000002 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 65.549999999999997 108.827 177.689 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.994 -0.373 . . . . 52.340000000000003 109.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.239999999999995 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 63.240000000000002 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.129999999999995 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.130000000000003 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 60.409999999999997 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 72.420000000000002 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.120000000000005 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 62.399999999999999 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 53.109999999999999 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.140000000000001 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 62.43 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.310000000000002 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 62.299999999999997 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.040000000000006 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.400000000000006 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 70.010000000000005 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 53.299999999999997 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 55.200000000000003 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.420000000000002 107.357 171.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.319999999999993 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.329999999999998 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.519999999999996 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.540000000000006 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 62.420000000000002 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HG3' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.400000000000006 111.739 168.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.400000000000006 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.239999999999995 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.439999999999998 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 51.240000000000002 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.420000000000002 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.340000000000003 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.140000000000001 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.539999999999999 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 74.519999999999996 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 62.509999999999998 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HG3' ' A' ' 33' ' ' GLN . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.239999999999995 113.383 162.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.519999999999996 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 73.239999999999995 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.209999999999994 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 73.0 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.340000000000003 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.430000000000007 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 62.539999999999999 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 73.319999999999993 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.409999999999997 109.778 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.239999999999995 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 54.219999999999999 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 72.540000000000006 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 70.5 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.400000000000006 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.549999999999997 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.310000000000002 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 65.120000000000005 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.329999999999998 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 70.040000000000006 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 71.230000000000004 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.0 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.340000000000003 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.319999999999993 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.129999999999995 108.91 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.757 -0.46 . . . . 71.109999999999999 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.450000000000003 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 63.210000000000001 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.229999999999997 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.319999999999993 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 73.099999999999994 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 72.040000000000006 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.439999999999998 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.200000000000003 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 62.0 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 61.039999999999999 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 52.520000000000003 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.430000000000007 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.299999999999997 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 64.420000000000002 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 52.130000000000003 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.400000000000006 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.140000000000001 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 71.230000000000004 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 30' ' ' LEU . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 73.230000000000004 109.379 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.119999999999997 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.299999999999997 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 27' ' ' ILE . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.200000000000003 107.87 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.040000000000006 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 63.140000000000001 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.109999999999999 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 64.209999999999994 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 72.019999999999996 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 71.030000000000001 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.430000000000007 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 64.430000000000007 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.310000000000002 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.219999999999999 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 52.509999999999998 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 34' ' ' VAL . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 63.43 109.663 171.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.230000000000004 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 65.129999999999995 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.219999999999999 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.140000000000001 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.010000000000005 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.400000000000006 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.219999999999999 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.430000000000007 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.129999999999995 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 52.5 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.099999999999994 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 70.040000000000006 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.239999999999995 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 65' ' ' TYR . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.109999999999999 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.430000000000007 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.239999999999995 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.120000000000005 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.040000000000006 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.239999999999995 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.310000000000002 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 70.299999999999997 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 57' ' ' VAL . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.439999999999998 115.044 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.109999999999999 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 71.299999999999997 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.040000000000006 108.19 165.726 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 110.414 -0.217 . . . . 74.219999999999999 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.129999999999995 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 72.530000000000001 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.230000000000004 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.120000000000005 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 61.119999999999997 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 63.310000000000002 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 62.420000000000002 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 61.130000000000003 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 56' ' ' PHE . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.400000000000006 112.492 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 72.129999999999995 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.010000000000005 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.439999999999998 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 62.140000000000001 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.299999999999997 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 60.020000000000003 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.129999999999995 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.420000000000002 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.230000000000004 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 71.030000000000001 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.030000000000001 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.299999999999997 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.230000000000004 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 73.049999999999997 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 55.210000000000001 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.239999999999995 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.608 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 50.43 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 70.430000000000007 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.149999999999999 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 39' ' ' LEU . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 73.349999999999994 113.147 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 38' ' ' SER . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.439999999999998 108.295 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 73.030000000000001 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 44.450000000000003 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 54.509999999999998 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 61.119999999999997 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 41.109999999999999 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 30.129999999999999 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.329999999999998 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.200000000000003 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 60.439999999999998 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.129999999999995 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.310000000000002 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.299999999999997 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.329999999999998 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.329999999999998 108.21 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 73.439999999999998 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 62.25 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 63' ' ' LEU . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 70.409999999999997 104.154 173.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 70.439999999999998 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.239999999999995 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 53.329999999999998 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 62.450000000000003 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 61.409999999999997 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.420000000000002 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.010000000000005 109.248 -166.567 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 65.230000000000004 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.349999999999994 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 64.010000000000005 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.019999999999996 108.106 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.233 0.232 0 CA-C-O 122.099 0.952 . . . . 72.040000000000006 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.349999999999994 110.213 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.549999999999997 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.540000000000006 108.351 169.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 43.229999999999997 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.329999999999998 110.683 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 71.209999999999994 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 72.140000000000001 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.230000000000004 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 51.420000000000002 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 56' ' ' PHE . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.120000000000005 111.415 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 42.020000000000003 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.510000000000005 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.329999999999998 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.723 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 63.420000000000002 112.698 -176.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.319999999999993 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.439999999999998 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 65.549999999999997 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.219999999999999 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.310000000000002 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 21' ' ' PHE . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.439999999999998 108.434 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.420000000000002 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 71.129999999999995 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 17' ' ' VAL . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 60.420000000000002 104.17 157.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.109999999999999 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 64.420000000000002 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.239999999999995 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.703 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 54.25 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.510000000000005 107.383 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.140000000000001 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 62.210000000000001 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 54.210000000000001 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 73.439999999999998 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 63.119999999999997 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.549999999999997 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 74.340000000000003 107.128 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.340000000000003 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.409999999999997 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.219999999999999 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.129999999999995 109.008 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 53.039999999999999 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.340000000000003 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 74.239999999999995 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.310000000000002 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.099999999999994 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.209999999999994 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.099999999999994 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.239999999999995 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 74.319999999999993 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 64.420000000000002 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.109999999999999 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 51.450000000000003 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 51.020000000000003 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.450000000000003 113.373 164.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.310000000000002 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.109999999999999 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 72.439999999999998 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 74.230000000000004 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.540000000000006 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.340000000000003 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 54.219999999999999 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.129999999999995 110.54 -177.774 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.57 -0.9 . . . . 64.099999999999994 108.57 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HE2' ' HB3' ' A' ' 40' ' ' GLU . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 60.030000000000001 108.576 166.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 65.200000000000003 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.319999999999993 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.140000000000001 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 53.119999999999997 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.329999999999998 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 64.310000000000002 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.439999999999998 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.230000000000004 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 51.409999999999997 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.530000000000001 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 62.100000000000001 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.209999999999994 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 61.240000000000002 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.430000000000007 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.129999999999995 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 50.420000000000002 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.439999999999998 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.240000000000002 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.450000000000003 109.218 171.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 61.439999999999998 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.420000000000002 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 64.310000000000002 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 34' ' ' VAL . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 64.340000000000003 106.069 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.530000000000001 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.200000000000003 107.389 -172.424 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 72.329999999999998 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.230000000000004 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.140000000000001 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 71.430000000000007 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.530000000000001 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 51.119999999999997 109.121 -174.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.519999999999996 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 73.109999999999999 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 34' ' ' VAL . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 60.210000000000001 109.884 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 42.43 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 73.209999999999994 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.340000000000003 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.200000000000003 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.329999999999998 109.934 -166.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.349999999999994 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.450000000000003 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 20.440000000000001 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 64.420000000000002 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.530000000000001 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.129999999999995 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.299999999999997 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 74.400000000000006 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 43' ' ' VAL . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 54.240000000000002 105.871 171.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.439999999999998 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 63.229999999999997 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.530000000000001 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.319999999999993 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 73.5 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 72.439999999999998 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.239999999999995 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.310000000000002 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.099999999999994 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.109999999999999 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.400000000000006 108.819 177.551 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--O 1.237 0.431 0 CA-C-O 121.094 0.473 . . . . 75.450000000000003 110.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.420000000000002 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 42.450000000000003 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 55.420000000000002 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.519999999999996 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 72.129999999999995 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.430000000000007 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 60.119999999999997 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.349999999999994 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.430000000000007 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.530000000000001 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 74.430000000000007 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 34.5 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.239999999999995 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.030000000000001 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 63.399999999999999 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.010000000000005 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 65.400000000000006 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.400000000000006 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.239999999999995 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.430000000000007 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 61.039999999999999 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.299999999999997 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.129999999999995 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.140000000000001 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 71.329999999999998 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.329999999999998 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.140000000000001 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.549999999999997 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 74.519999999999996 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 64.420000000000002 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.129999999999995 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.129999999999995 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 64.510000000000005 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 63.130000000000003 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 54.340000000000003 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 65.430000000000007 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 63.140000000000001 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.009999999999998 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.299999999999997 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 74.299999999999997 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.340000000000003 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.099999999999994 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.340000000000003 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.420000000000002 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 54.32 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 71.420000000000002 107.248 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.120000000000005 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.239999999999995 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.129999999999995 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 63.340000000000003 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.310000000000002 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.430000000000007 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.140000000000001 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.349999999999994 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.310000000000002 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 70.349999999999994 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.040000000000006 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.099999999999994 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.230000000000004 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 65.239999999999995 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.329999999999998 107.159 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.457 -0.572 . . . . 73.400000000000006 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 71.219999999999999 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.329999999999998 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 65.010000000000005 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.109999999999999 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 72.219999999999999 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 53.240000000000002 110.648 -173.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 60.299999999999997 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.319999999999993 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 72.129999999999995 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 72.519999999999996 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.230000000000004 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 61.350000000000001 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 71.200000000000003 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.319999999999993 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 64.329999999999998 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.109999999999999 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 61.310000000000002 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.149999999999999 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 73.109999999999999 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 61.420000000000002 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 64.510000000000005 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.319999999999993 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HG12 ' A' ' 46' ' ' VAL . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 61.420000000000002 104.88 163.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.150000000000006 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.140000000000001 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.409999999999997 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 61.530000000000001 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.420000000000002 105.618 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 72.299999999999997 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.420000000000002 112.636 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.120000000000005 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.230000000000004 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.219999999999999 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.010000000000005 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 13' ' ' LEU . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.329999999999998 109.045 -173.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 61.520000000000003 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 52.009999999999998 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.239999999999995 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 30' ' ' LEU . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.439999999999998 109.545 -170.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 74.150000000000006 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.409999999999997 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.329999999999998 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 55.43 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.340000000000003 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 54.32 106.128 174.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 73.430000000000007 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.420000000000002 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.150000000000006 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.099999999999994 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.420000000000002 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.530000000000001 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 64.109999999999999 113.074 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.299999999999997 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.209999999999994 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.239999999999995 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 72.409999999999997 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.109999999999999 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.539999999999999 111.562 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 66' ' ' GLU . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 43.409999999999997 107.052 -173.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.409999999999997 107.098 176.433 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.76 0.315 . . . . 65.230000000000004 111.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 71.329999999999998 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.230000000000004 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 70.109999999999999 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 71.140000000000001 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.010000000000005 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.409999999999997 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 50.439999999999998 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.450000000000003 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 65.319999999999993 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.319999999999993 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.019999999999996 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.140000000000001 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 73.209999999999994 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 54.210000000000001 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 61.009999999999998 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 64.140000000000001 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.439999999999998 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.230000000000004 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.430000000000007 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 43.130000000000003 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.040000000000006 106.006 159.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.349999999999994 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 73.219999999999999 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 53.310000000000002 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.150000000000006 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' H ' ' HA3' ' A' ' 44' ' ' GLY . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 61.350000000000001 109.102 165.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.219999999999999 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.120000000000005 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.129999999999995 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.109999999999999 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.430000000000007 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 63.020000000000003 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.340000000000003 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 63.020000000000003 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 71.430000000000007 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 57' ' ' VAL . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.340000000000003 107.585 168.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.507 ' HA3' ' H ' ' A' ' 33' ' ' GLN . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.109999999999999 116.534 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 65.340000000000003 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.340000000000003 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.010000000000005 112.923 -176.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.030000000000001 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 45.530000000000001 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.520000000000003 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 73.209999999999994 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.140000000000001 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.219999999999999 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.219999999999999 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.439999999999998 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 64.420000000000002 106.375 159.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 72.329999999999998 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.450000000000003 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 61.549999999999997 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.150000000000006 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.240000000000002 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 64.129999999999995 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 70.140000000000001 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.409999999999997 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.150000000000006 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 72.219999999999999 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.019999999999996 108.103 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.310000000000002 110.706 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.230000000000004 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 63.140000000000001 111.072 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.129999999999995 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 71.540000000000006 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.549999999999997 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.519999999999996 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 73.109999999999999 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 63.530000000000001 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 62.310000000000002 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.319999999999993 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 63.350000000000001 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.400000000000006 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.430000000000007 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.239999999999995 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 64.319999999999993 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 30.420000000000002 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.430000000000007 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 51.0 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.239999999999995 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 71.099999999999994 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.409999999999997 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.530000000000001 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 63.109999999999999 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.150000000000006 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG13 ' HB ' ' A' ' 43' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 64.219999999999999 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 63.409999999999997 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.310000000000002 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.409999999999997 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.140000000000001 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.349999999999994 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.409999999999997 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.329999999999998 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 73.25 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.62 ' HB ' HG13 ' A' ' 34' ' ' VAL . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.120000000000005 107.785 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.340000000000003 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 61.520000000000003 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 72.400000000000006 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 71.340000000000003 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.530000000000001 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.140000000000001 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.510000000000005 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.509999999999998 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.439999999999998 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.120000000000005 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 54.009999999999998 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 61.530000000000001 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.319999999999993 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.150000000000006 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.150000000000006 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.230000000000004 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.450000000000003 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 62.409999999999997 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.329999999999998 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.319999999999993 106.721 169.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.150000000000006 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.340000000000003 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 64.200000000000003 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 72.099999999999994 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.530000000000001 108.243 -169.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.310000000000002 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.109999999999999 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 61.149999999999999 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.149999999999999 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.109999999999999 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.409999999999997 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 55.32 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.420000000000002 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 73.439999999999998 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 74.349999999999994 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 73.439999999999998 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.230000000000004 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 60.32 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.439999999999998 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.120000000000005 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.150000000000006 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.230000000000004 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.140000000000001 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 55.109999999999999 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.109999999999999 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 63.310000000000002 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.209999999999994 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 73.030000000000001 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 62.140000000000001 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.409999999999997 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 63.509999999999998 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.150000000000006 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.219999999999999 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 44.009999999999998 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 33.219999999999999 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.540000000000006 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.409999999999997 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.539999999999999 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 HG11 ' A' ' 32' ' ' VAL . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.049999999999997 107.739 178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.329999999999998 109.517 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 54.350000000000001 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.450000000000003 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.310000000000002 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.120000000000005 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.040000000000006 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.349999999999994 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.040000000000006 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.420000000000002 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.340000000000003 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.439999999999998 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.230000000000004 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.310000000000002 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 73.030000000000001 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.420000000000002 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 60.310000000000002 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.140000000000001 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.209999999999994 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 53.549999999999997 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 71.439999999999998 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.319999999999993 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.409999999999997 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 55.530000000000001 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 63.140000000000001 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.319999999999993 111.519 -171.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.348 -0.612 . . . . 74.5 109.348 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.510000000000005 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.209999999999994 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.099999999999994 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.329999999999998 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 61.119999999999997 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.399999999999999 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 45.100000000000001 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 72.510000000000005 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.439999999999998 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.230000000000004 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.420000000000002 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 73.299999999999997 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.319999999999993 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.129999999999995 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.420000000000002 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 63.200000000000003 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 54.299999999999997 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 63.32 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.530000000000001 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.129999999999995 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 70.120000000000005 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.519999999999996 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.409999999999997 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.109999999999999 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.439999999999998 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.652 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.329999999999998 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.420000000000002 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.129999999999995 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.230000000000004 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.319999999999993 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.319999999999993 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 72.439999999999998 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.109999999999999 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 HG22 ' A' ' 32' ' ' VAL . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 71.319999999999993 106.543 173.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.319999999999993 107.842 165.306 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 34.140000000000001 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 62.420000000000002 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 71.349999999999994 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 70.239999999999995 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 43.009999999999998 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.439999999999998 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.450000000000003 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 72.519999999999996 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.230000000000004 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.450000000000003 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.420000000000002 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.533 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 55.329999999999998 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.530000000000001 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.219999999999999 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.129999999999995 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.519999999999996 114.022 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 71.439999999999998 111.503 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.510000000000005 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.109999999999999 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 52.25 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.519999999999996 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.120000000000005 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.530000000000001 109.513 -166.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.978 -0.058 . . . . 74.049999999999997 111.13 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.030000000000001 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.150000000000006 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.140000000000001 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.030000000000001 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.030000000000001 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 71.140000000000001 110.146 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.349999999999994 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 61.409999999999997 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.349999999999994 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.430000000000007 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 71.450000000000003 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 70.25 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.319999999999993 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.450000000000003 112.657 -173.06 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.430000000000007 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 71.310000000000002 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 62.32 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 50.240000000000002 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.030000000000001 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 73.420000000000002 106.456 165.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.030000000000001 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.409999999999997 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.310000000000002 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.040000000000006 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 70.430000000000007 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.209999999999994 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.763 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.219999999999999 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 71.120000000000005 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.109999999999999 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.350000000000001 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.329999999999998 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 73.150000000000006 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 63.219999999999999 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.349999999999994 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 55.240000000000002 112.033 175.225 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 57' ' ' VAL . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 62.340000000000003 109.033 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.019999999999996 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.040000000000006 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 63.130000000000003 106.84 170.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.120000000000005 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 63.109999999999999 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.140000000000001 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.019999999999996 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.450000000000003 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.230000000000004 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.230000000000004 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 71.450000000000003 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 60.32 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 64.010000000000005 109.121 171.613 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.329999999999998 108.258 171.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.209999999999994 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.340000000000003 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.219999999999999 115.467 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 63.25 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.030000000000001 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' CE2' ' A' ' 56' ' ' PHE . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.25 106.578 156.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 60.32 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 74.310000000000002 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.310000000000002 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.150000000000006 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 73.430000000000007 107.894 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 mmm . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.509 0.671 . . . . 71.129999999999995 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 72.0 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.040000000000006 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.409999999999997 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.109999999999999 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.520000000000003 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 42' ' ' LEU . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 72.340000000000003 108.618 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 74.209999999999994 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.239999999999995 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.430000000000007 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.430000000000007 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 54.229999999999997 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.329999999999998 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.099999999999994 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 64.319999999999993 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 62.020000000000003 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.329999999999998 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.420000000000002 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.319999999999993 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 71.299999999999997 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 21' ' ' PHE . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.109999999999999 109.085 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.310000000000002 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.240000000000002 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.420000000000002 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 60.210000000000001 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 52.420000000000002 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.230000000000004 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.120000000000005 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.239999999999995 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.400000000000006 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.019999999999996 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.430000000000007 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 54.539999999999999 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 63.210000000000001 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.200000000000003 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' LEU . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.319999999999993 106.971 -175.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 63.109999999999999 108.611 173.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.420000000000002 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.099999999999994 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 55.32 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.400000000000006 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.010000000000005 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 64.409999999999997 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 71.319999999999993 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.099999999999994 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.230000000000004 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 64.239999999999995 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.430000000000007 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.430000000000007 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.230000000000004 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 43' ' ' VAL . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.239999999999995 108.575 169.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 74.209999999999994 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 73.209999999999994 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 64.0 114.768 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.230000000000004 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.200000000000003 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.219999999999999 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 53.409999999999997 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 55.109999999999999 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.240000000000002 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 72.200000000000003 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 61.439999999999998 107.306 169.162 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 106.176 -2.77 . . . . 72.209999999999994 106.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.13 84.6 2.17 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.435 -0.95 . . . . 74.230000000000004 108.435 -141.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -139.76 63.62 1.48 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.294 2.238 . . . . 64.409999999999997 106.939 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -149.77 18.19 0.9 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.041 -1.037 . . . . 75.510000000000005 111.283 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.21 111.11 5.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.849 -1.157 . . . . 75.510000000000005 108.773 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.72 128.98 49.22 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.84 -1.541 . . . . 71.109999999999999 106.84 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -111.51 -168.77 1.35 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.071 0.949 . . . . 75.239999999999995 110.11 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.519999999999996 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.150000000000006 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.109999999999999 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 63.439999999999998 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 73.310000000000002 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.239999999999995 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.540000000000006 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.510000000000005 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.519999999999996 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.239999999999995 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 73.310000000000002 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 73.209999999999994 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.010000000000005 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.030000000000001 112.434 -170.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.310000000000002 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 44.329999999999998 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 74.420000000000002 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 61.329999999999998 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.329999999999998 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.319999999999993 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.150000000000006 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 52.240000000000002 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 72.150000000000006 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.120000000000005 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 72.530000000000001 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.6 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 54.32 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 72.549999999999997 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.510000000000005 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 34.310000000000002 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.409999999999997 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 54.149999999999999 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.319999999999993 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.109999999999999 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.530000000000001 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.349999999999994 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 64.450000000000003 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 35.240000000000002 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 73.030000000000001 107.185 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 73.549999999999997 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.019999999999996 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.329999999999998 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.010000000000005 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 22.199999999999999 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 72.349999999999994 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 74.450000000000003 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 74.319999999999993 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 60.409999999999997 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.519999999999996 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.540000000000006 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 74.230000000000004 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.329999999999998 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 72.519999999999996 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.239999999999995 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.310000000000002 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 62.329999999999998 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.329999999999998 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 64.439999999999998 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.140000000000001 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.140000000000001 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.46 109.48 13.87 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.340000000000003 108.242 167.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.65 114.27 7.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 127.06 2.144 . . . . 61.119999999999997 106.581 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.246 0.878 0 C-N-CA 125.838 1.655 . . . . 71.129999999999995 107.972 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 109.409 -1.476 . . . . 40.420000000000002 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -79.45 -13.86 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.021 1.728 . . . . 63.240000000000002 112.403 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -65.27 1.03 1.16 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 131.53 3.932 . . . . 72.129999999999995 116.181 -169.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -108.94 52.33 0.72 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.477 -1.39 . . . . 64.129999999999995 110.645 -163.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -161.76 144.1 11.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.946 0.899 . . . . 75.530000000000001 111.873 -165.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.8 173.52 11.07 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.036 1.735 . . . . 72.109999999999999 110.131 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm -126.2 175.62 7.66 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.747 1.619 . . . . 75.239999999999995 112.53 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.340000000000003 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.409999999999997 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.439999999999998 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 71.310000000000002 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 73.310000000000002 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 42' ' ' LEU . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 63.409999999999997 110.396 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 64.409999999999997 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.150000000000006 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 62.450000000000003 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.439999999999998 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.140000000000001 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.229999999999997 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.120000000000005 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.450000000000003 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.519999999999996 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.519999999999996 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.349999999999994 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.120000000000005 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.439999999999998 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.340000000000003 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.430000000000007 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.420000000000002 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.329999999999998 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.430000000000007 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 34' ' ' VAL . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.140000000000001 105.813 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.329999999999998 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.619 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 73.439999999999998 106.111 -166.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.340000000000003 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.219999999999999 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.519999999999996 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.140000000000001 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.549999999999997 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 64.329999999999998 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 32' ' ' VAL . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 40.030000000000001 110.047 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 63.140000000000001 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 41.329999999999998 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.519999999999996 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 53.420000000000002 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.540000000000006 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.420000000000002 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 61.310000000000002 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 60.310000000000002 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.150000000000006 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 71.109999999999999 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.120000000000005 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.219999999999999 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.329999999999998 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 63.149999999999999 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 72.319999999999993 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.420000000000002 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 44.109999999999999 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.430000000000007 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.540000000000006 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.439999999999998 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 63.119999999999997 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.510000000000005 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 71.519999999999996 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.130000000000003 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.18 121.64 19.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.329999999999998 106.981 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.94 108.48 25.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 106.47 -1.678 . . . . 75.430000000000007 106.47 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.536 1.534 . . . . 73.430000000000007 107.119 162.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.516 0 N-CA-C 108.746 -1.742 . . . . 74.409999999999997 108.746 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 45.43 72.08 0.24 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 127.238 2.215 . . . . 62.140000000000001 112.771 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -145.25 -67.15 0.31 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.17 2.188 . . . . 64.120000000000005 107.744 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.4 28.87 0.56 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.715 1.206 . . . . 72.219999999999999 111.182 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -127.78 82.36 2.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.782 1.233 . . . . 73.109999999999999 112.527 -158.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.06 147.5 44.05 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.094 0.958 . . . . 72.439999999999998 108.546 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm -72.16 178.16 4.01 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.474 1.11 . . . . 63.439999999999998 109.01 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 42.310000000000002 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 ' H ' ' HB2' ' A' ' 12' ' ' GLU . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.310000000000002 107.476 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 71.25 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.420000000000002 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB2' ' H ' ' A' ' 9' ' ' THR . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.420000000000002 109.18 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.049999999999997 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.310000000000002 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.340000000000003 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 56' ' ' PHE . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.219999999999999 111.174 173.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 62.149999999999999 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.450000000000003 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.019999999999996 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.409999999999997 113.222 -166.073 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.019999999999996 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 64.340000000000003 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.150000000000006 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 35.439999999999998 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 72.109999999999999 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 21' ' ' PHE . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.420000000000002 107.551 168.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.009999999999998 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.209999999999994 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 60.450000000000003 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.349999999999994 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 51.520000000000003 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.239999999999995 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 63.25 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.349999999999994 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.340000000000003 107.686 170.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.430000000000007 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.439999999999998 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 72.329999999999998 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.129999999999995 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 63.420000000000002 108.125 -174.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 62.340000000000003 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.319999999999993 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 55.520000000000003 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.209999999999994 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 60.310000000000002 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.420000000000002 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.150000000000006 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.109999999999999 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.239999999999995 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.010000000000005 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.530000000000001 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 71.450000000000003 106.639 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 72.420000000000002 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.219999999999999 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 73.030000000000001 109.921 167.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.25 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.310000000000002 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.329999999999998 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.149999999999999 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 63.25 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 74.120000000000005 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 71.049999999999997 109.46 177.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.109999999999999 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 53.130000000000003 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.329999999999998 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.310000000000002 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 115.75 31.23 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.349999999999994 108.235 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 98.09 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 106.194 -1.78 . . . . 60.219999999999999 106.194 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 116.724 -1.608 . . . . 71.120000000000005 110.483 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.411 -1.076 . . . . 54.439999999999998 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.82 179.77 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.077 1.751 . . . . 75.129999999999995 111.266 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 44.81 63.65 1.64 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.759 3.224 . . . . 74.230000000000004 113.898 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -150.89 37.49 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.477 1.111 . . . . 74.25 110.516 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -71.33 -177.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.777 1.231 . . . . 64.219999999999999 112.719 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.83 172.83 12.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.972 1.709 . . . . 74.540000000000006 110.659 172.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm -95.25 161.47 14.09 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.336 1.055 . . . . 72.530000000000001 109.521 165.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.239999999999995 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.219999999999999 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 44.32 108.515 169.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.340000000000003 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 72.540000000000006 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 72.530000000000001 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 64.150000000000006 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.350000000000001 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.510000000000005 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 52.350000000000001 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.109999999999999 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 64.519999999999996 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.120000000000005 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.409999999999997 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 51.329999999999998 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.439999999999998 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.430000000000007 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.140000000000001 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.420000000000002 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 21' ' ' PHE . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 42.520000000000003 105.985 172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 72.219999999999999 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.040000000000006 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 54.509999999999998 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 64.040000000000006 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 63.310000000000002 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.239999999999995 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.150000000000006 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 63.149999999999999 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 70.430000000000007 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 63.130000000000003 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 62.219999999999999 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 42.450000000000003 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.239999999999995 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 61.43 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 72.219999999999999 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 71.430000000000007 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.439999999999998 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 61.450000000000003 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 41.539999999999999 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 73.019999999999996 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 73.019999999999996 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.010000000000005 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 32.119999999999997 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 63.109999999999999 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 64.030000000000001 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 52.549999999999997 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 65.120000000000005 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 71.349999999999994 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 52.32 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.120000000000005 114.404 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.219999999999999 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.319999999999993 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 52.049999999999997 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 55.119999999999997 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 72.420000000000002 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.239999999999995 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.150000000000006 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -66.3 127.12 30.99 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.310000000000002 110.496 173.373 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.54 104.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 103.228 -2.878 . . . . 74.150000000000006 103.228 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.25 1.125 0 C-N-CA 126.093 1.757 . . . . 74.25 110.013 -169.556 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 N-CA-C 107.301 -2.32 . . . . 62.310000000000002 107.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 7.83 41.76 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.811 0.671 . . . . 73.430000000000007 112.811 -164.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -103.14 98.11 8.1 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.786 -1.19 . . . . 71.409999999999997 107.786 154.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -159.81 39.61 0.19 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.131 1.772 . . . . 71.340000000000003 107.606 156.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -77.92 114.04 16.4 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.066 -1.646 . . . . 60.509999999999998 109.332 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 mt -110.18 132.31 54.28 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.003 -1.48 . . . . 75.349999999999994 107.003 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm -73.93 174.91 7.88 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.264 0.626 . . . . 55.329999999999998 110.412 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 63.310000000000002 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 60.310000000000002 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.549999999999997 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.409999999999997 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.240000000000002 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 63.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 63.229999999999997 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.450000000000003 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 71.549999999999997 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 44.149999999999999 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 62.210000000000001 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.310000000000002 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.510000000000005 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 64.099999999999994 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.400000000000006 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.25 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.540000000000006 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.340000000000003 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 71.129999999999995 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.340000000000003 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 42.299999999999997 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.510000000000005 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.530000000000001 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 73.409999999999997 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 61.409999999999997 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.707 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.129999999999995 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 55.149999999999999 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.519999999999996 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 53.240000000000002 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 55.049999999999997 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.239999999999995 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.409999999999997 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.349999999999994 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.319999999999993 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 57' ' ' VAL . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 54.329999999999998 109.557 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.219999999999999 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.129999999999995 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.299999999999997 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.140000000000001 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.430000000000007 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.140000000000001 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.400000000000006 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.129999999999995 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.219999999999999 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.200000000000003 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 74.510000000000005 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 73.230000000000004 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.109999999999999 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 63.219999999999999 105.199 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 63.509999999999998 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.340000000000003 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.209999999999994 116.45 -175.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.430000000000007 111.337 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.129999999999995 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.540000000000006 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 43.409999999999997 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 62.25 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 62.119999999999997 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.430000000000007 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.5 112.78 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.439999999999998 110.643 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -142.28 119.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 106.872 -1.529 . . . . 64.409999999999997 106.872 171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.402 1.481 . . . . 63.130000000000003 108.512 163.499 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.773 0 N-CA-C 107.36 -2.296 . . . . 61.229999999999997 107.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.46 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 127.531 2.332 . . . . 64.0 107.153 -158.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.51 -79.63 0.16 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.875 0.47 . . . . 73.200000000000003 111.017 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -150.27 8.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.624 -1.298 . . . . 63.210000000000001 113.707 -173.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.83 46.48 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.411 1.634 . . . . 63.229999999999997 115.411 -163.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.0 mt -139.47 108.56 6.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.228 -1.768 . . . . 73.299999999999997 106.228 -164.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm -83.53 164.81 19.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.827 0.74 . . . . 62.329999999999998 109.557 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.340000000000003 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 70.040000000000006 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.019999999999996 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.099999999999994 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.340000000000003 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.209999999999994 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 64.040000000000006 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 70.019999999999996 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 63.030000000000001 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.109999999999999 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.329999999999998 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 71.010000000000005 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.140000000000001 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 70.239999999999995 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.409999999999997 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.430000000000007 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.409999999999997 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 51.420000000000002 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.439999999999998 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.530000000000001 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 63.350000000000001 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 50.350000000000001 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.200000000000003 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.230000000000004 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.329999999999998 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.239999999999995 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.010000000000005 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.420000000000002 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.409999999999997 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 61.039999999999999 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 52.5 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.099999999999994 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.299999999999997 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 72.209999999999994 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.109999999999999 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.439999999999998 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.409999999999997 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 43.420000000000002 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 72.549999999999997 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.230000000000004 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 41.049999999999997 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.329999999999998 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 52.109999999999999 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.129999999999995 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 62.329999999999998 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.409999999999997 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 73.230000000000004 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.439999999999998 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.099999999999994 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 51.539999999999999 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.209999999999994 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.310000000000002 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.140000000000001 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 63.210000000000001 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.129999999999995 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 72.319999999999993 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 73.540000000000006 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 71.530000000000001 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -87.46 58.28 4.87 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.549999999999997 109.264 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 t -132.22 79.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 105.827 -1.916 . . . . 62.32 105.827 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.057 0.943 . . . . 72.310000000000002 108.469 176.298 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 CA-C-O 120.084 -0.286 . . . . 51.140000000000001 112.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.68 158.22 3.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 117.973 0.887 . . . . 73.540000000000006 111.088 167.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -135.96 -50.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.834 2.053 . . . . 72.5 108.947 168.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -163.5 83.81 0.47 Allowed 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.455 -0.942 . . . . 74.219999999999999 108.455 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -176.8 6.08 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.407 1.483 . . . . 70.409999999999997 109.177 174.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.7 mt -110.44 130.78 55.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.121 1.368 . . . . 70.310000000000002 107.931 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm -71.5 176.22 4.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.613 0.642 . . . . 73.439999999999998 110.044 171.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.519999999999996 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.540000000000006 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 71.519999999999996 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.519999999999996 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.420000000000002 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 65.099999999999994 110.31 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.540000000000006 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.399999999999999 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 64.430000000000007 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.530000000000001 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.140000000000001 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.140000000000001 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 63.420000000000002 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 73.030000000000001 113.452 -169.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.340000000000003 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.140000000000001 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 71.439999999999998 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.530000000000001 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 63.219999999999999 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 63.210000000000001 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 52.200000000000003 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.530000000000001 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 63.299999999999997 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 44.240000000000002 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 61.229999999999997 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.420000000000002 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.622 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 64.450000000000003 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.310000000000002 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.439999999999998 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.209999999999994 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.530000000000001 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 54.030000000000001 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.450000000000003 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.099999999999994 108.46 -178.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.129999999999995 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.240000000000002 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 23.129999999999999 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 21' ' ' PHE . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.510000000000005 105.344 167.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.310000000000002 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 65.230000000000004 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.340000000000003 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.540000000000006 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.549999999999997 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.430000000000007 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.450000000000003 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.430000000000007 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.120000000000005 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.140000000000001 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 72.319999999999993 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.530000000000001 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.230000000000004 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.230000000000004 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.049999999999997 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.420000000000002 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.209999999999994 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 70.109999999999999 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.430000000000007 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.540000000000006 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.420000000000002 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.9 105.41 9.07 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 65.549999999999997 108.827 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.17 26.83 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.128 1.371 . . . . 73.310000000000002 111.215 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.469 2.707 . . . . 74.310000000000002 112.012 -163.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.706 0 N-CA-C 108.314 -1.914 . . . . 55.409999999999997 108.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.21 86.97 6.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.005 -1.48 . . . . 63.140000000000001 107.005 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -90.03 74.44 7.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 106.349 -1.723 . . . . 73.239999999999995 106.349 153.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 173.56 9.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.258 2.223 . . . . 72.299999999999997 112.112 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -74.58 80.17 1.98 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.984 1.265 . . . . 74.25 109.217 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.39 172.82 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.454 1.102 . . . . 52.43 110.738 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm -91.85 172.52 8.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.609 1.563 . . . . 52.340000000000003 109.994 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.239999999999995 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 63.240000000000002 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.129999999999995 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.130000000000003 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 60.409999999999997 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 72.420000000000002 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.120000000000005 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 62.399999999999999 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 53.109999999999999 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.140000000000001 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 62.43 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.310000000000002 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 62.299999999999997 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.040000000000006 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.400000000000006 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 70.010000000000005 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 53.299999999999997 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 55.200000000000003 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.420000000000002 107.357 171.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.319999999999993 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.329999999999998 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.519999999999996 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.540000000000006 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 62.420000000000002 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HG3' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.400000000000006 111.739 168.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.400000000000006 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.239999999999995 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.439999999999998 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 51.240000000000002 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.420000000000002 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.340000000000003 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.140000000000001 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.539999999999999 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 74.519999999999996 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 62.509999999999998 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HG3' ' A' ' 33' ' ' GLN . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.239999999999995 113.383 162.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.519999999999996 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 73.239999999999995 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.209999999999994 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 73.0 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.340000000000003 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.430000000000007 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 62.539999999999999 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 73.319999999999993 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.409999999999997 109.778 -177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.239999999999995 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 54.219999999999999 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 72.540000000000006 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 70.5 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.400000000000006 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.549999999999997 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.310000000000002 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 65.120000000000005 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.329999999999998 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 70.040000000000006 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 71.230000000000004 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.0 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.340000000000003 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.319999999999993 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 110.04 18.63 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.129999999999995 108.91 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.5 m -126.38 73.05 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 122.167 0.984 . . . . 64.239999999999995 108.834 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.25 -0.881 . . . . 74.349999999999994 109.323 172.5 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 107.827 -2.109 . . . . 72.129999999999995 107.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.44 10.91 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.959 0.885 . . . . 54.420000000000002 109.06 -135.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -120.23 90.87 3.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 127.609 2.364 . . . . 71.239999999999995 107.033 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -157.22 59.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.971 0.908 . . . . 71.040000000000006 110.084 -173.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -139.66 130.46 26.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.68 1.592 . . . . 62.009999999999998 111.135 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -129.42 159.88 34.85 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.069 1.348 . . . . 74.409999999999997 110.309 172.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.35 175.92 8.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.001 2.12 . . . . 71.109999999999999 109.757 164.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.450000000000003 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 63.210000000000001 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.229999999999997 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.319999999999993 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 73.099999999999994 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 72.040000000000006 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.439999999999998 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.200000000000003 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 62.0 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 61.039999999999999 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 52.520000000000003 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.430000000000007 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.299999999999997 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 64.420000000000002 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 52.130000000000003 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.400000000000006 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.140000000000001 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 71.230000000000004 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 30' ' ' LEU . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 73.230000000000004 109.379 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.119999999999997 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.299999999999997 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 27' ' ' ILE . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.200000000000003 107.87 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.040000000000006 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 63.140000000000001 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.109999999999999 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 64.209999999999994 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 72.019999999999996 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 71.030000000000001 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.430000000000007 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 64.430000000000007 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.310000000000002 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.219999999999999 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 52.509999999999998 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 34' ' ' VAL . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 63.43 109.663 171.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.230000000000004 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 65.129999999999995 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.219999999999999 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.140000000000001 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.010000000000005 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.400000000000006 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.219999999999999 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.430000000000007 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.129999999999995 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 52.5 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.099999999999994 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 70.040000000000006 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.239999999999995 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 65' ' ' TYR . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.109999999999999 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.430000000000007 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.239999999999995 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.120000000000005 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.040000000000006 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.239999999999995 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.310000000000002 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 70.299999999999997 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 57' ' ' VAL . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.439999999999998 115.044 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.109999999999999 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 71.299999999999997 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.65 95.36 0.65 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.040000000000006 108.19 165.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -123.17 92.56 2.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 124.249 1.019 . . . . 73.239999999999995 109.638 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 106.868 -1.53 . . . . 73.340000000000003 106.868 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.763 0 N-CA-C 108.858 -1.697 . . . . 52.43 108.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 52.91 -155.1 0.2 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.049 1.34 . . . . 73.540000000000006 108.845 -176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -130.68 -81.48 0.54 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.966 -1.124 . . . . 73.310000000000002 107.966 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -128.68 63.32 1.46 Allowed 'General case' 0 C--O 1.24 0.582 0 C-N-CA 125.173 1.389 . . . . 74.530000000000001 108.313 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -151.36 167.2 28.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.233 1.413 . . . . 73.310000000000002 111.245 -172.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.56 172.64 9.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.124 2.17 . . . . 74.109999999999999 109.578 162.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm -95.2 169.5 10.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.943 0.897 . . . . 74.219999999999999 110.414 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.129999999999995 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 72.530000000000001 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.230000000000004 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.120000000000005 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 61.119999999999997 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 63.310000000000002 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 62.420000000000002 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 61.130000000000003 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 56' ' ' PHE . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.400000000000006 112.492 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 72.129999999999995 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.010000000000005 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.439999999999998 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 62.140000000000001 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.299999999999997 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 60.020000000000003 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.129999999999995 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.420000000000002 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.230000000000004 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 71.030000000000001 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.030000000000001 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.299999999999997 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.230000000000004 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 73.049999999999997 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 55.210000000000001 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.239999999999995 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.608 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 50.43 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 70.430000000000007 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.149999999999999 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 39' ' ' LEU . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 73.349999999999994 113.147 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 38' ' ' SER . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.439999999999998 108.295 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 73.030000000000001 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 44.450000000000003 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 54.509999999999998 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 61.119999999999997 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 41.109999999999999 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 30.129999999999999 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.329999999999998 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.200000000000003 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 60.439999999999998 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.129999999999995 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.310000000000002 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.299999999999997 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.329999999999998 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.329999999999998 108.21 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 73.439999999999998 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 62.25 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 63' ' ' LEU . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 70.409999999999997 104.154 173.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 70.439999999999998 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.239999999999995 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 53.329999999999998 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 62.450000000000003 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 61.409999999999997 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.420000000000002 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.010000000000005 109.248 -166.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 65.230000000000004 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.349999999999994 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 64.010000000000005 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.44 108.8 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.019999999999996 108.106 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.13 97.6 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 107.376 -1.342 . . . . 73.239999999999995 107.376 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.249 1.07 0 N-CA-C 105.031 -2.211 . . . . 62.409999999999997 105.031 152.106 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.751 0 N-CA-C 110.01 -1.236 . . . . 64.219999999999999 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -150.03 -176.78 5.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.543 1.937 . . . . 74.049999999999997 107.29 161.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.47 -76.14 0.5 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.958 2.103 . . . . 63.25 106.164 -165.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -153.03 77.61 1.16 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.106 1.763 . . . . 73.140000000000001 107.169 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -157.75 97.05 1.54 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.349 -0.982 . . . . 73.329999999999998 108.349 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -126.91 101.8 6.73 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.075 0.95 . . . . 74.319999999999993 108.495 -173.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm -82.41 178.64 8.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 122.099 0.952 . . . . 72.040000000000006 111.342 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.349999999999994 110.213 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.549999999999997 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.540000000000006 108.351 169.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 43.229999999999997 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.329999999999998 110.683 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 71.209999999999994 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 72.140000000000001 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.230000000000004 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 51.420000000000002 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 56' ' ' PHE . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.120000000000005 111.415 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 42.020000000000003 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.510000000000005 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.329999999999998 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.723 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 63.420000000000002 112.698 -176.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.319999999999993 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.439999999999998 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 65.549999999999997 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.219999999999999 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.310000000000002 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 21' ' ' PHE . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.439999999999998 108.434 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.420000000000002 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 71.129999999999995 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 17' ' ' VAL . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 60.420000000000002 104.17 157.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.109999999999999 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 64.420000000000002 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.239999999999995 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.703 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 54.25 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.510000000000005 107.383 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.140000000000001 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 62.210000000000001 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 54.210000000000001 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 73.439999999999998 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 63.119999999999997 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.549999999999997 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 74.340000000000003 107.128 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.340000000000003 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.409999999999997 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.219999999999999 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.129999999999995 109.008 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 53.039999999999999 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.340000000000003 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 74.239999999999995 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.310000000000002 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.099999999999994 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.209999999999994 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.099999999999994 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.239999999999995 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 74.319999999999993 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 64.420000000000002 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.109999999999999 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 51.450000000000003 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 51.020000000000003 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.450000000000003 113.373 164.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.310000000000002 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.109999999999999 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 72.439999999999998 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 74.230000000000004 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.540000000000006 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.340000000000003 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 54.219999999999999 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.44 137.36 56.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.129999999999995 110.54 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -142.78 99.22 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 107.207 -1.405 . . . . 75.310000000000002 107.207 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.337 1.855 . . . . 73.209999999999994 109.619 -175.698 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 108.354 -1.898 . . . . 24.219999999999999 108.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.37 18.39 2.23 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.547 1.165 . . . . 75.230000000000004 109.664 172.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -149.61 101.59 3.09 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 119.686 -1.884 . . . . 64.319999999999993 106.306 -173.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -154.93 88.3 1.18 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.454 -1.313 . . . . 73.409999999999997 107.454 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.95 152.04 38.78 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.997 0.919 . . . . 72.430000000000007 109.217 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -129.15 157.17 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.027 -1.471 . . . . 74.409999999999997 107.027 157.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 165.34 24.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.57 -0.9 . . . . 64.099999999999994 108.57 153.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HE2' ' HB3' ' A' ' 40' ' ' GLU . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 60.030000000000001 108.576 166.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 65.200000000000003 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.319999999999993 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.140000000000001 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 53.119999999999997 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.329999999999998 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 64.310000000000002 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.439999999999998 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.230000000000004 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 51.409999999999997 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.530000000000001 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 62.100000000000001 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.209999999999994 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 61.240000000000002 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.430000000000007 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.129999999999995 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 50.420000000000002 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.439999999999998 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.240000000000002 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.450000000000003 109.218 171.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 61.439999999999998 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.420000000000002 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 64.310000000000002 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 34' ' ' VAL . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 64.340000000000003 106.069 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.530000000000001 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.200000000000003 107.389 -172.424 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 72.329999999999998 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.230000000000004 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.140000000000001 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 71.430000000000007 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.530000000000001 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 51.119999999999997 109.121 -174.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.519999999999996 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 73.109999999999999 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 34' ' ' VAL . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 60.210000000000001 109.884 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 42.43 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 73.209999999999994 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.340000000000003 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.200000000000003 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.329999999999998 109.934 -166.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.349999999999994 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.450000000000003 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 20.440000000000001 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 64.420000000000002 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.530000000000001 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.129999999999995 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.299999999999997 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 74.400000000000006 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 43' ' ' VAL . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 54.240000000000002 105.871 171.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.439999999999998 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 63.229999999999997 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.530000000000001 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.319999999999993 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 73.5 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 72.439999999999998 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.239999999999995 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.310000000000002 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.099999999999994 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.109999999999999 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -79.09 118.5 21.12 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.400000000000006 108.819 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.23 86.3 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 106.651 -1.611 . . . . 75.519999999999996 106.651 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.414 1.486 . . . . 75.150000000000006 109.814 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 110.051 -1.219 . . . . 61.350000000000001 110.051 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -44.59 153.87 0.15 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.448 -0.376 . . . . 71.219999999999999 110.748 133.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -169.55 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.117 -1.438 . . . . 71.519999999999996 107.117 160.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -158.69 38.24 0.23 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.888 1.275 . . . . 73.150000000000006 110.283 -173.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -82.49 27.49 0.51 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.13 0.972 . . . . 74.129999999999995 113.244 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.4 mt -132.33 158.03 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.572 0.749 . . . . 63.530000000000001 110.307 -153.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm -76.42 173.34 11.6 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.439 -0.8 . . . . 75.450000000000003 110.024 165.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.420000000000002 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 42.450000000000003 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 55.420000000000002 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.519999999999996 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 72.129999999999995 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.430000000000007 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 60.119999999999997 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.349999999999994 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.430000000000007 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.530000000000001 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 74.430000000000007 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 34.5 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.239999999999995 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.030000000000001 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 63.399999999999999 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.010000000000005 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 65.400000000000006 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.400000000000006 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.239999999999995 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.430000000000007 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 61.039999999999999 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.299999999999997 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.129999999999995 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.140000000000001 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 71.329999999999998 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.329999999999998 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.140000000000001 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.549999999999997 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 74.519999999999996 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 64.420000000000002 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.129999999999995 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.129999999999995 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 64.510000000000005 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 63.130000000000003 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 54.340000000000003 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 65.430000000000007 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 63.140000000000001 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.009999999999998 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.299999999999997 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 74.299999999999997 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.340000000000003 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.099999999999994 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.340000000000003 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.420000000000002 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 54.32 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 71.420000000000002 107.248 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.120000000000005 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.239999999999995 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.129999999999995 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 63.340000000000003 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.310000000000002 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.430000000000007 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.140000000000001 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.349999999999994 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.310000000000002 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 70.349999999999994 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.040000000000006 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.099999999999994 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.230000000000004 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 65.239999999999995 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.9 91.84 3.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.329999999999998 107.159 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.87 85.52 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 104.861 -2.274 . . . . 52.409999999999997 104.861 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.245 0.864 0 C-N-CA 126.234 1.814 . . . . 74.430000000000007 109.409 -174.283 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 107.665 -2.174 . . . . 73.120000000000005 107.665 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.68 159.91 18.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.112 0.956 . . . . 72.319999999999993 108.879 160.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.93 1.39 1.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.215 1.006 . . . . 74.109999999999999 113.308 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.06 35.9 4.73 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.2 0.909 . . . . 74.010000000000005 109.597 -164.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -146.17 101.65 3.53 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.528 1.131 . . . . 75.120000000000005 107.951 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -107.04 154.13 21.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.309 1.443 . . . . 75.400000000000006 108.489 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm -90.05 168.97 11.58 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.778 1.231 . . . . 73.400000000000006 109.457 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 71.219999999999999 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.329999999999998 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 65.010000000000005 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.109999999999999 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 72.219999999999999 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 53.240000000000002 110.648 -173.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 60.299999999999997 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.319999999999993 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 72.129999999999995 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 72.519999999999996 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.230000000000004 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 61.350000000000001 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 71.200000000000003 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.319999999999993 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 64.329999999999998 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.109999999999999 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 61.310000000000002 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.149999999999999 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 73.109999999999999 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 61.420000000000002 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 64.510000000000005 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.319999999999993 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HG12 ' A' ' 46' ' ' VAL . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 61.420000000000002 104.88 163.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.150000000000006 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.140000000000001 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.409999999999997 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 61.530000000000001 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.420000000000002 105.618 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 72.299999999999997 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.420000000000002 112.636 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.120000000000005 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.230000000000004 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.219999999999999 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.010000000000005 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 13' ' ' LEU . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.329999999999998 109.045 -173.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 61.520000000000003 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 52.009999999999998 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.239999999999995 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 30' ' ' LEU . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.439999999999998 109.545 -170.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 74.150000000000006 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.409999999999997 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.329999999999998 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 55.43 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.340000000000003 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 54.32 106.128 174.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 73.430000000000007 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.420000000000002 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.150000000000006 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.099999999999994 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.420000000000002 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.530000000000001 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 64.109999999999999 113.074 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.299999999999997 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.209999999999994 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.239999999999995 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 72.409999999999997 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.109999999999999 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.539999999999999 111.562 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 66' ' ' GLU . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 43.409999999999997 107.052 -173.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -110.27 109.74 20.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.409999999999997 107.098 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.63 107.83 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 114.96 -1.018 . . . . 73.129999999999995 108.455 -171.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 70' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.245 0.835 0 C-N-CA 126.457 1.903 . . . . 61.119999999999997 107.952 162.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.731 0 N-CA-C 108.85 -1.7 . . . . 23.039999999999999 108.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 48.12 0.98 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.989 2.116 . . . . 74.209999999999994 110.667 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -141.89 55.95 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.397 1.479 . . . . 74.129999999999995 109.846 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 18.78 2.5 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 125.752 1.621 . . . . 70.239999999999995 109.952 -172.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -143.32 100.78 3.68 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.543 1.537 . . . . 71.040000000000006 109.784 -171.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.7 mt -116.87 162.72 17.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.747 2.019 . . . . 71.140000000000001 108.609 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm -78.37 -177.99 5.51 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.776 1.63 . . . . 65.230000000000004 111.538 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 71.329999999999998 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.230000000000004 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 70.109999999999999 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 71.140000000000001 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.010000000000005 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.409999999999997 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 50.439999999999998 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.450000000000003 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 65.319999999999993 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.319999999999993 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.019999999999996 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.140000000000001 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 73.209999999999994 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 54.210000000000001 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 61.009999999999998 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 64.140000000000001 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.439999999999998 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.230000000000004 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.430000000000007 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 43.130000000000003 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.040000000000006 106.006 159.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.349999999999994 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 73.219999999999999 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 53.310000000000002 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.150000000000006 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' H ' ' HA3' ' A' ' 44' ' ' GLY . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 61.350000000000001 109.102 165.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.219999999999999 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.120000000000005 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.129999999999995 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.109999999999999 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.430000000000007 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 63.020000000000003 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.340000000000003 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 63.020000000000003 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 71.430000000000007 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 57' ' ' VAL . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.340000000000003 107.585 168.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.507 ' HA3' ' H ' ' A' ' 33' ' ' GLN . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.109999999999999 116.534 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 65.340000000000003 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.340000000000003 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.010000000000005 112.923 -176.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.030000000000001 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 45.530000000000001 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.520000000000003 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 73.209999999999994 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.140000000000001 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.219999999999999 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.219999999999999 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.439999999999998 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 64.420000000000002 106.375 159.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 72.329999999999998 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.450000000000003 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 61.549999999999997 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.150000000000006 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.240000000000002 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 64.129999999999995 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 70.140000000000001 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.409999999999997 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.150000000000006 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 72.219999999999999 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.71 102.36 10.18 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.019999999999996 108.103 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -157.47 24.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 121.473 0.654 . . . . 62.43 110.877 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.378 1.871 . . . . 63.039999999999999 111.019 -163.49 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.045 0 N-CA-C 110.193 -1.163 . . . . 25.52 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -125.82 2.62 7.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.994 1.717 . . . . 73.140000000000001 112.351 -153.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.6 68.27 0.71 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 123.647 1.689 . . . . 64.140000000000001 107.824 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -138.05 35.22 2.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.324 1.85 . . . . 72.230000000000004 107.577 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -89.98 86.15 6.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 126.377 1.871 . . . . 74.519999999999996 108.868 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.4 mt -101.19 135.7 42.23 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.204 -1.406 . . . . 75.109999999999999 107.204 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm -72.6 -178.75 2.75 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.310000000000002 110.706 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.230000000000004 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 63.140000000000001 111.072 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.129999999999995 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 71.540000000000006 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.549999999999997 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.519999999999996 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 73.109999999999999 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 63.530000000000001 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 62.310000000000002 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.319999999999993 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 63.350000000000001 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.400000000000006 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.430000000000007 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.239999999999995 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 64.319999999999993 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 30.420000000000002 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.430000000000007 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 51.0 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.239999999999995 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 71.099999999999994 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.409999999999997 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.530000000000001 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 63.109999999999999 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.150000000000006 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG13 ' HB ' ' A' ' 43' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 64.219999999999999 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 63.409999999999997 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.310000000000002 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.409999999999997 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.140000000000001 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.349999999999994 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.409999999999997 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.329999999999998 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 73.25 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.62 ' HB ' HG13 ' A' ' 34' ' ' VAL . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.120000000000005 107.785 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.340000000000003 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 61.520000000000003 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 72.400000000000006 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 71.340000000000003 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.530000000000001 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.140000000000001 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.510000000000005 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.509999999999998 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.439999999999998 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.120000000000005 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 54.009999999999998 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 61.530000000000001 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.319999999999993 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.150000000000006 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.150000000000006 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.230000000000004 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.450000000000003 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 62.409999999999997 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.329999999999998 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.319999999999993 106.721 169.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.150000000000006 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.340000000000003 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 64.200000000000003 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 72.099999999999994 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.37 109.88 21.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.530000000000001 108.243 -169.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -132.26 24.42 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 123.125 0.57 . . . . 71.129999999999995 112.067 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.251 1.161 0 N-CA-C 107.176 -1.416 . . . . 71.310000000000002 107.176 175.254 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.537 0 N-CA-C 107.831 -2.108 . . . . 55.200000000000003 107.831 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -135.86 160.56 38.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 122.661 1.22 . . . . 62.420000000000002 109.345 169.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.4 -10.47 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.294 2.238 . . . . 73.530000000000001 110.924 -152.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -140.53 68.66 1.35 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.837 -1.171 . . . . 75.239999999999995 107.837 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -154.56 110.75 3.23 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.099 1.76 . . . . 60.229999999999997 107.132 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -127.54 128.73 46.13 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.371 1.068 . . . . 64.329999999999998 108.362 -172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm -73.82 175.57 7.14 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.310000000000002 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.109999999999999 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 61.149999999999999 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.149999999999999 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.109999999999999 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.409999999999997 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 55.32 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.420000000000002 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 73.439999999999998 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 74.349999999999994 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 73.439999999999998 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.230000000000004 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 60.32 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.439999999999998 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.120000000000005 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.150000000000006 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.230000000000004 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.140000000000001 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 55.109999999999999 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.109999999999999 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 63.310000000000002 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.209999999999994 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 73.030000000000001 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 62.140000000000001 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.409999999999997 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 63.509999999999998 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.150000000000006 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.219999999999999 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 44.009999999999998 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 33.219999999999999 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.540000000000006 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.409999999999997 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.539999999999999 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 HG11 ' A' ' 32' ' ' VAL . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.049999999999997 107.739 178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.329999999999998 109.517 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 54.350000000000001 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.450000000000003 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.310000000000002 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.120000000000005 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.040000000000006 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.349999999999994 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.040000000000006 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.420000000000002 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.340000000000003 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.439999999999998 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.230000000000004 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.310000000000002 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 73.030000000000001 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.420000000000002 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 60.310000000000002 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.140000000000001 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.209999999999994 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 53.549999999999997 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 71.439999999999998 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.319999999999993 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.409999999999997 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 55.530000000000001 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 63.140000000000001 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.67 37.71 0.54 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.319999999999993 111.519 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.17 121.43 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 107.244 -1.391 . . . . 54.140000000000001 107.244 166.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.406 1.482 . . . . 72.409999999999997 108.431 169.912 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 108.874 -1.69 . . . . 34.130000000000003 108.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.56 -168.68 1.9 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 125.224 1.41 . . . . 75.540000000000006 109.25 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 72.35 101.46 0.07 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.461 2.304 . . . . 72.299999999999997 109.446 -167.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.5 6.47 0.74 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 114.188 1.181 . . . . 75.530000000000001 114.188 173.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -125.64 90.78 3.27 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.268 1.427 . . . . 61.119999999999997 110.07 -167.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.19 160.91 14.11 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.138 -0.69 . . . . 63.310000000000002 109.138 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.71 162.29 17.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.132 1.373 . . . . 74.5 109.348 170.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.510000000000005 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.209999999999994 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.099999999999994 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.329999999999998 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 61.119999999999997 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.399999999999999 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 45.100000000000001 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 72.510000000000005 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.439999999999998 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.230000000000004 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.420000000000002 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 73.299999999999997 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.319999999999993 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.129999999999995 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.420000000000002 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 63.200000000000003 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 54.299999999999997 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 63.32 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.530000000000001 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.129999999999995 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 70.120000000000005 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.519999999999996 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.409999999999997 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.109999999999999 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.439999999999998 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.652 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.329999999999998 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.420000000000002 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.129999999999995 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.230000000000004 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.319999999999993 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.319999999999993 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 72.439999999999998 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.109999999999999 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 HG22 ' A' ' 32' ' ' VAL . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 71.319999999999993 106.543 173.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.319999999999993 107.842 165.306 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 34.140000000000001 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 62.420000000000002 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 71.349999999999994 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 70.239999999999995 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 43.009999999999998 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.439999999999998 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.450000000000003 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 72.519999999999996 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.230000000000004 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.450000000000003 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.420000000000002 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.533 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 55.329999999999998 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.530000000000001 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.219999999999999 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.129999999999995 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.519999999999996 114.022 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 71.439999999999998 111.503 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.510000000000005 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.109999999999999 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 52.25 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.519999999999996 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.120000000000005 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.95 76.62 9.37 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.530000000000001 109.513 -166.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HA ' HD22 ' A' ' 70' ' ' LEU . 5.2 t -84.6 80.57 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 O-C-N 121.789 -0.569 . . . . 64.319999999999993 110.342 -174.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 69' ' ' VAL . 1.6 mm? . . . . . 0 C--O 1.246 0.909 0 C-N-CA 129.296 3.038 . . . . 62.140000000000001 113.006 156.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 106.347 -2.701 . . . . 52.119999999999997 106.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 140.72 53.03 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.984 -1.858 . . . . 74.140000000000001 105.984 133.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -142.64 97.67 3.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 118.886 0.766 . . . . 74.349999999999994 110.515 -165.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -130.87 18.16 5.11 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.394 1.878 . . . . 73.109999999999999 110.371 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -69.85 97.97 1.18 Allowed 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.657 1.183 . . . . 74.329999999999998 110.623 -166.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.44 163.23 24.53 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.382 1.073 . . . . 64.109999999999999 109.091 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm -135.9 177.57 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.178 1.391 . . . . 74.049999999999997 111.13 -170.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.030000000000001 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.150000000000006 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.140000000000001 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.030000000000001 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.030000000000001 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 71.140000000000001 110.146 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.349999999999994 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 61.409999999999997 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.349999999999994 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.430000000000007 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 71.450000000000003 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 70.25 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.319999999999993 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.450000000000003 112.657 -173.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.430000000000007 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 71.310000000000002 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 62.32 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 50.240000000000002 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.030000000000001 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 73.420000000000002 106.456 165.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.030000000000001 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.409999999999997 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.310000000000002 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.040000000000006 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 70.430000000000007 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.209999999999994 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.219999999999999 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 71.120000000000005 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.109999999999999 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.350000000000001 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.329999999999998 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 73.150000000000006 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 63.219999999999999 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.349999999999994 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 55.240000000000002 112.033 175.225 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 57' ' ' VAL . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 62.340000000000003 109.033 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.019999999999996 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.040000000000006 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 63.130000000000003 106.84 170.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.120000000000005 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 63.109999999999999 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.140000000000001 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.019999999999996 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.450000000000003 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.230000000000004 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.230000000000004 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 71.450000000000003 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 60.32 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 64.010000000000005 109.121 171.613 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.329999999999998 108.258 171.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.209999999999994 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.340000000000003 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.219999999999999 115.467 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 63.25 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.030000000000001 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' CE2' ' A' ' 56' ' ' PHE . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.25 106.578 156.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 60.32 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 74.310000000000002 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.310000000000002 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.150000000000006 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.3 77.47 8.95 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 73.430000000000007 107.894 177.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.1 112.26 12.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 106.698 -1.593 . . . . 74.340000000000003 106.698 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.252 1.21 0 N-CA-C 106.729 -1.582 . . . . 74.129999999999995 106.729 165.725 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' HA2' ' OD2' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 109.371 -1.491 . . . . 74.299999999999997 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 t70 60.97 71.4 0.56 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 123.811 1.767 . . . . 60.439999999999998 107.484 -161.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HA2' ' A' ' 1' ' ' GLY . 1.8 p30 -136.63 24.07 3.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.921 1.689 . . . . 74.030000000000001 111.47 -156.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -144.81 3.33 1.08 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.786 1.234 . . . . 75.420000000000002 111.13 -163.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -119.58 87.08 2.67 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 124.869 1.268 . . . . 64.040000000000006 109.517 -164.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.14 150.49 45.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.371 -0.974 . . . . 72.230000000000004 108.371 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 mmm -86.25 165.16 16.7 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.273 1.429 . . . . 71.129999999999995 109.749 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 72.0 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.040000000000006 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.409999999999997 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.109999999999999 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.520000000000003 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 42' ' ' LEU . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 72.340000000000003 108.618 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 74.209999999999994 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.239999999999995 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.430000000000007 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.430000000000007 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 54.229999999999997 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.329999999999998 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.099999999999994 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 64.319999999999993 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 62.020000000000003 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.329999999999998 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.420000000000002 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.319999999999993 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 71.299999999999997 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 21' ' ' PHE . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.109999999999999 109.085 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.310000000000002 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.240000000000002 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.420000000000002 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 60.210000000000001 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 52.420000000000002 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.230000000000004 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.120000000000005 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.239999999999995 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.400000000000006 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.019999999999996 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.430000000000007 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 54.539999999999999 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 63.210000000000001 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.200000000000003 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' LEU . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.319999999999993 106.971 -175.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 63.109999999999999 108.611 173.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.420000000000002 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.099999999999994 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 55.32 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.400000000000006 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.010000000000005 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 64.409999999999997 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 71.319999999999993 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.099999999999994 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.230000000000004 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 64.239999999999995 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.430000000000007 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.430000000000007 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.230000000000004 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 43' ' ' VAL . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.239999999999995 108.575 169.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 74.209999999999994 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 73.209999999999994 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 64.0 114.768 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.230000000000004 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.200000000000003 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.219999999999999 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 53.409999999999997 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 55.109999999999999 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.240000000000002 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 72.200000000000003 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.57 123.08 47.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 61.439999999999998 107.306 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.66 103.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 106.587 -1.635 . . . . 64.099999999999994 106.587 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.441 -1.266 . . . . 75.439999999999998 108.144 179.135 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.034 0.445 . . . . 75.24 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.52 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.15 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.11 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 63.44 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 73.31 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.24 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.54 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.51 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.52 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.24 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 73.31 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 73.21 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.01 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.03 112.434 -170.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.31 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 44.33 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 74.42 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 61.33 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.33 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.32 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.15 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 52.24 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 72.15 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.12 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 72.53 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.6 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 54.32 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 72.55 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.51 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 34.31 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.41 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 54.15 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.32 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.11 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.53 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.35 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 64.45 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 35.24 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 73.03 107.185 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 73.55 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.02 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.33 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.01 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 22.2 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 72.35 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 74.45 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 74.32 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 60.41 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.52 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.54 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 74.23 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.33 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 72.52 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.24 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.31 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 62.33 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.33 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 64.44 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.14 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.14 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.34 108.242 167.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.413 0.625 . . . . 75.24 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.34 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.41 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.44 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 71.31 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 73.31 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 42' ' ' LEU . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 63.41 110.396 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 64.41 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.15 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 62.45 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.44 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.14 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.23 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.12 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.45 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.52 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.52 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.35 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.12 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.44 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.34 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.43 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.42 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.33 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.43 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 34' ' ' VAL . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.14 105.813 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.33 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.619 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 73.44 106.111 -166.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.34 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.22 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.52 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.14 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.55 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 64.33 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 32' ' ' VAL . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 40.03 110.047 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 63.14 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 41.33 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.52 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 53.42 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.54 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.42 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 61.31 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 60.31 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.15 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 71.11 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.12 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.22 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.33 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 63.15 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 72.32 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.42 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 44.11 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.43 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.54 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.44 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 63.12 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.51 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 71.52 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.13 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.33 106.981 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.01 -0.737 . . . . 63.44 109.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 42.31 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.412 ' H ' ' HB2' ' A' ' 12' ' ' GLU . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.31 107.476 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 71.25 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.42 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB2' ' H ' ' A' ' 9' ' ' THR . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.42 109.18 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.05 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.31 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.34 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 56' ' ' PHE . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.22 111.174 173.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 62.15 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.45 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.02 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.41 113.222 -166.073 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.02 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 64.34 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.15 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 35.44 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 72.11 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 21' ' ' PHE . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.42 107.551 168.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.01 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.21 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 60.45 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.35 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 51.52 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.24 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 63.25 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.35 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.34 107.686 170.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.43 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.44 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 72.33 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.13 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 63.42 108.125 -174.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 62.34 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.32 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 55.52 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.21 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 60.31 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.42 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.15 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.11 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.24 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.01 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.53 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 71.45 106.639 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 72.42 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.22 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 73.03 109.921 167.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.25 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.31 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.33 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.15 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 63.25 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 74.12 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 71.05 109.46 177.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.11 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 53.13 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.33 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.31 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.35 108.235 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.521 -0.548 . . . . 72.53 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.24 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.22 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 44.32 108.515 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.34 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 72.54 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 72.53 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 64.15 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.35 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.51 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 52.35 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.11 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 64.52 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.12 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.41 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 51.33 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.44 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.43 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.14 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.42 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 21' ' ' PHE . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 42.52 105.985 172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 72.22 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.04 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 54.51 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 64.04 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 63.31 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.24 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.564 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.15 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 63.15 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 70.43 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 63.13 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 62.22 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 42.45 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.24 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 61.43 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 72.22 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 71.43 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.44 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 61.45 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 41.54 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 73.02 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 73.02 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.01 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 32.12 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 63.11 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 64.03 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 52.55 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 65.12 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 71.35 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 52.32 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.12 114.404 161.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.22 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.32 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 52.05 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 55.12 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 72.42 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.24 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.15 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.31 110.496 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.574 0.226 . . . . 55.33 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 63.31 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 60.31 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.55 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.41 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.24 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 63.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 63.23 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.45 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 71.55 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 44.15 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 62.21 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.31 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.51 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 64.1 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.4 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.25 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.54 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.34 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 71.13 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.34 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 42.3 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.51 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.53 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 73.41 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 61.41 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.707 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.13 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 55.15 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.52 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 53.24 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 55.05 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.24 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.41 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.35 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.32 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 57' ' ' VAL . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 54.33 109.557 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.22 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.13 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.3 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.14 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.43 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.14 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.4 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.13 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.22 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.2 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 74.51 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 73.23 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.11 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 63.22 105.199 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 63.51 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.34 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 61' ' ' GLU . 6.6 t30 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.21 116.45 -175.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 60' ' ' ASN . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.43 111.337 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.13 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.54 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 43.41 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 62.25 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 62.12 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.43 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.44 110.643 -168.304 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 C--O 1.238 0.482 0 N-CA-C 109.557 -0.534 . . . . 62.33 109.557 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.34 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 70.04 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.02 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.1 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.34 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.21 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 64.04 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 70.02 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 63.03 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.11 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.33 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 71.01 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.14 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 70.24 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.41 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.43 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.41 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 51.42 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.44 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.53 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 63.35 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 50.35 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.2 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.23 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.33 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.24 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.01 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.42 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.41 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 61.04 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 52.5 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.1 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.3 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 72.21 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.11 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.44 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.41 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 43.42 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 72.55 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.23 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 41.05 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.33 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 52.11 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.13 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 62.33 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.41 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 73.23 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.44 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.1 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 51.54 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.21 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.31 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.14 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 63.21 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.13 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 72.32 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 73.54 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 71.53 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.55 109.264 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm . . . . . 0 C--O 1.239 0.503 0 CA-C-O 121.382 0.61 . . . . 73.44 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.52 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.54 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 71.52 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.52 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.42 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 65.1 110.31 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.54 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.4 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 64.43 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.53 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.14 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.14 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 63.42 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 73.03 113.452 -169.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.34 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.14 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 71.44 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.53 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 63.22 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 63.21 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 52.2 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.53 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 63.3 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 44.24 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 61.23 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.42 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.622 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 64.45 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.31 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.44 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.21 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.53 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 54.03 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.45 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.1 108.46 -178.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.13 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.24 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 23.13 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 21' ' ' PHE . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.51 105.344 167.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.31 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 65.23 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.34 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.54 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.55 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.43 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.45 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.43 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.12 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.14 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 72.32 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.53 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.23 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.23 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.05 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.42 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.21 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 70.11 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.43 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.54 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.42 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 65.55 108.827 177.689 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.994 -0.373 . . . . 52.34 109.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.24 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 63.24 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.13 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.13 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 60.41 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 72.42 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.12 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 62.4 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 53.11 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.14 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 62.43 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.31 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 62.3 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.04 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.4 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 70.01 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 53.3 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 55.2 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.42 107.357 171.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.32 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.33 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.52 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.54 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 62.42 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HG3' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.4 111.739 168.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.4 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.24 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.44 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 51.24 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.42 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.34 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.14 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.54 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 74.52 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 62.51 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HG3' ' A' ' 33' ' ' GLN . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.24 113.383 162.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.52 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 73.24 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.21 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 73.0 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.34 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.43 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 62.54 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 73.32 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.41 109.778 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.24 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 54.22 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 72.54 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 70.5 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.4 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.55 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.31 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 65.12 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.33 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 70.04 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 71.23 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.0 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.34 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.32 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.13 108.91 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.757 -0.46 . . . . 71.11 109.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.45 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 63.21 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.23 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.32 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 73.1 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 72.04 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.44 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.2 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 62.0 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 61.04 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 52.52 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.43 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.3 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 64.42 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 52.13 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.4 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.14 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 71.23 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 30' ' ' LEU . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 73.23 109.379 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.12 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.3 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 27' ' ' ILE . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.2 107.87 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.04 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 63.14 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.11 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 64.21 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 72.02 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 71.03 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.43 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 64.43 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.31 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.22 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 52.51 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 34' ' ' VAL . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 63.43 109.663 171.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.23 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 65.13 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.22 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.14 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.01 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.4 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.22 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.43 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.13 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 52.5 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.1 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 70.04 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.24 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 65' ' ' TYR . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.11 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.43 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.24 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.12 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.04 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.24 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.31 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 70.3 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 57' ' ' VAL . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.44 115.044 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.11 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 71.3 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.04 108.19 165.726 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 110.414 -0.217 . . . . 74.22 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.13 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 72.53 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.23 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.12 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 61.12 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 63.31 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 62.42 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 61.13 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 56' ' ' PHE . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.4 112.492 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 72.13 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.01 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.44 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 62.14 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.3 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 60.02 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.13 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.42 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.23 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 71.03 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.03 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.3 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.23 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 73.05 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 55.21 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.24 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.608 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 50.43 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 70.43 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.15 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 39' ' ' LEU . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 73.35 113.147 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 38' ' ' SER . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.44 108.295 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 73.03 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 44.45 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 54.51 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 61.12 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 41.11 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 30.13 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.33 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.2 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 60.44 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.13 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.31 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.3 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.33 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.33 108.21 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 73.44 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 62.25 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 63' ' ' LEU . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 70.41 104.154 173.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 70.44 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.24 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 53.33 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 62.45 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 61.41 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.42 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.01 109.248 -166.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 65.23 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.35 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 64.01 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.02 108.106 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.233 0.232 0 CA-C-O 122.099 0.952 . . . . 72.04 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.35 110.213 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.55 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.54 108.351 169.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 43.23 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.33 110.683 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 71.21 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 72.14 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.23 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 51.42 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 56' ' ' PHE . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.12 111.415 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 42.02 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.51 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.33 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.723 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 63.42 112.698 -176.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.32 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.44 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 65.55 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.22 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.31 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 21' ' ' PHE . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.44 108.434 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.42 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 71.13 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 17' ' ' VAL . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 60.42 104.17 157.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.11 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 64.42 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.24 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.703 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 54.25 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.51 107.383 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.14 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 62.21 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 54.21 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 73.44 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 63.12 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.55 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 74.34 107.128 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.34 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.41 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.22 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.13 109.008 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 53.04 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.34 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 74.24 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.31 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.1 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.21 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.1 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.24 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 74.32 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 64.42 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.11 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 51.45 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 51.02 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.45 113.373 164.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.31 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.11 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 72.44 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 74.23 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.54 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.34 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 54.22 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.13 110.54 -177.774 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.57 -0.9 . . . . 64.1 108.57 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HE2' ' HB3' ' A' ' 40' ' ' GLU . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 60.03 108.576 166.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 65.2 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.32 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.14 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 53.12 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.33 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 64.31 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.44 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.23 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 51.41 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.53 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 62.1 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.21 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 61.24 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.43 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.13 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 50.42 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.44 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.24 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.45 109.218 171.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 61.44 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.42 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 64.31 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 34' ' ' VAL . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 64.34 106.069 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.53 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.2 107.389 -172.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 72.33 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.23 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.14 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 71.43 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.53 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 51.12 109.121 -174.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.52 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 73.11 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 34' ' ' VAL . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 60.21 109.884 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 42.43 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 73.21 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.34 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.2 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.33 109.934 -166.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.35 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.45 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 20.44 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 64.42 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.53 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.13 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.3 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 74.4 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 43' ' ' VAL . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 54.24 105.871 171.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.44 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 63.23 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.53 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.32 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 73.5 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 72.44 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.24 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.31 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.1 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.11 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.4 108.819 177.551 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--O 1.237 0.431 0 CA-C-O 121.094 0.473 . . . . 75.45 110.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.42 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 42.45 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 55.42 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.52 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 72.13 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.43 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 60.12 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.35 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.43 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.53 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 74.43 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 34.5 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.24 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.03 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 63.4 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.01 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 65.4 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.4 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.24 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.43 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 61.04 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.3 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.13 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.14 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 71.33 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.33 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.14 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.55 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 74.52 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 64.42 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.13 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.13 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 64.51 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 63.13 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 54.34 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 65.43 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 63.14 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.01 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.3 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 74.3 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.34 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.1 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.34 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.42 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 54.32 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 71.42 107.248 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.12 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.24 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.13 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 63.34 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.31 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.43 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.14 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.35 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.31 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 70.35 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.04 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.1 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.23 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 65.24 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.33 107.159 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.457 -0.572 . . . . 73.4 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 71.22 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.33 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 65.01 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.11 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 72.22 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 53.24 110.648 -173.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 60.3 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.32 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 72.13 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 72.52 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.23 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 61.35 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 71.2 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.32 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 64.33 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.11 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 61.31 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.15 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 73.11 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 61.42 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 64.51 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.32 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HG12 ' A' ' 46' ' ' VAL . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 61.42 104.88 163.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.15 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.14 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.41 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 61.53 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.42 105.618 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 72.3 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.42 112.636 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.12 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.23 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.22 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.01 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 13' ' ' LEU . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.33 109.045 -173.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 61.52 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 52.01 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.24 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 30' ' ' LEU . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.44 109.545 -170.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 74.15 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.41 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.33 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 55.43 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.34 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 54.32 106.128 174.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 73.43 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.42 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.15 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.1 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.42 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.53 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 64.11 113.074 -176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.3 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.21 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.24 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 72.41 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.11 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.54 111.562 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 66' ' ' GLU . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 43.41 107.052 -173.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.41 107.098 176.433 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.76 0.315 . . . . 65.23 111.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 71.33 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.23 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 70.11 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 71.14 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.01 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.41 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 50.44 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.45 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 65.32 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.32 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.02 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.14 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 73.21 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 54.21 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 61.01 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 64.14 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.44 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.23 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.43 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 43.13 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.04 106.006 159.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.35 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 73.22 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 53.31 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.15 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' H ' ' HA3' ' A' ' 44' ' ' GLY . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 61.35 109.102 165.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.22 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.12 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.13 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.11 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.43 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 63.02 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.34 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 63.02 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 71.43 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 57' ' ' VAL . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.34 107.585 168.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.507 ' HA3' ' H ' ' A' ' 33' ' ' GLN . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.11 116.534 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 65.34 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.34 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.01 112.923 -176.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.03 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 45.53 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.52 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 73.21 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.14 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.22 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.22 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.44 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 64.42 106.375 159.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 72.33 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.45 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 61.55 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.15 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.24 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 64.13 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 70.14 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.41 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.15 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 72.22 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.02 108.103 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.31 110.706 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.23 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 63.14 111.072 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.13 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 71.54 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.55 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.52 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 73.11 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 63.53 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 62.31 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.32 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 63.35 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.4 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.43 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.24 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 64.32 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 30.42 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.43 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 51.0 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.24 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 71.1 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.41 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.53 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 63.11 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.15 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG13 ' HB ' ' A' ' 43' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 64.22 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 63.41 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.31 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.41 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.14 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.35 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.41 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.33 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 73.25 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.62 ' HB ' HG13 ' A' ' 34' ' ' VAL . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.12 107.785 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.34 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 61.52 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 72.4 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 71.34 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.53 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.14 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.51 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.51 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.44 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.12 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 54.01 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 61.53 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.32 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.15 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.15 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.23 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.45 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 62.41 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.33 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.32 106.721 169.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.15 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.34 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 64.2 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 72.1 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.53 108.243 -169.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.31 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.11 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 61.15 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.15 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.11 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.41 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 55.32 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.42 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 73.44 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 74.35 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 73.44 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.23 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 60.32 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.44 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.12 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.15 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.23 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.14 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 55.11 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.11 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 63.31 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.21 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 73.03 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 62.14 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.41 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 63.51 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.15 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.22 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 44.01 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 33.22 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.54 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.41 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.54 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 HG11 ' A' ' 32' ' ' VAL . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.05 107.739 178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.33 109.517 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 54.35 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.45 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.31 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.12 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.04 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.35 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.04 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.42 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.34 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.44 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.23 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.31 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 73.03 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.42 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 60.31 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.14 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.21 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 53.55 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 71.44 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.32 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.41 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 55.53 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 63.14 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.32 111.519 -171.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.348 -0.612 . . . . 74.5 109.348 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.51 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.21 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.1 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.33 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 61.12 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.4 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 45.1 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 72.51 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.44 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.23 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.42 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 73.3 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.32 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.13 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.42 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 63.2 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 54.3 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 63.32 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.53 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.13 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 70.12 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.52 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.41 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.11 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.44 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.652 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.33 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.42 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.13 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.23 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.32 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.32 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 72.44 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.11 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 HG22 ' A' ' 32' ' ' VAL . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 71.32 106.543 173.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.32 107.842 165.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 34.14 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 62.42 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 71.35 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 70.24 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 43.01 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.44 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.45 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 72.52 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.23 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.45 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.42 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.533 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 55.33 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.53 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.22 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.13 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.623 HD22 ' HG3' ' A' ' 61' ' ' GLU . 1.3 t30 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.52 114.022 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.623 ' HG3' HD22 ' A' ' 60' ' ' ASN . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 71.44 111.503 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.51 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.11 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 52.25 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.52 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.12 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.53 109.513 -166.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.978 -0.058 . . . . 74.05 111.13 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.03 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.15 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.14 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.03 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.03 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 71.14 110.146 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.35 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 61.41 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.35 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.43 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 71.45 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 70.25 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.32 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.45 112.657 -173.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.43 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 71.31 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 62.32 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 50.24 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.03 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 73.42 106.456 165.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.03 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.41 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.31 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.04 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 70.43 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.21 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.763 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.22 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 71.12 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.11 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.35 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.33 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 73.15 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 63.22 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.35 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 55.24 112.033 175.225 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 57' ' ' VAL . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 62.34 109.033 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.02 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.04 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 63.13 106.84 170.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.12 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 63.11 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.14 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.02 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.45 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.23 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.23 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 71.45 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 60.32 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 64.01 109.121 171.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.33 108.258 171.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.21 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.34 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.22 115.467 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 63.25 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.03 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' CE2' ' A' ' 56' ' ' PHE . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.25 106.578 156.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 60.32 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 74.31 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.31 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.15 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 73.43 107.894 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 mmm . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.509 0.671 . . . . 71.13 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 72.0 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.04 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.41 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.11 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.52 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 42' ' ' LEU . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 72.34 108.618 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 74.21 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.24 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.43 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.43 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 54.23 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.33 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.1 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 64.32 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 62.02 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.33 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.42 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.32 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 71.3 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 21' ' ' PHE . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.11 109.085 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.31 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.24 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.42 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 60.21 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 52.42 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.23 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.12 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.24 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.4 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.02 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.43 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 54.54 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 63.21 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.2 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' LEU . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.32 106.971 -175.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 63.11 108.611 173.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.42 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.1 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 55.32 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.4 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.01 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 64.41 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 71.32 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.1 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.23 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 64.24 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.43 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.43 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.23 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 43' ' ' VAL . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.24 108.575 169.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 74.21 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 64.0 114.768 178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.23 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.2 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.22 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 53.41 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 55.11 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.24 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 72.2 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 61.44 107.306 169.162 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 106.176 -2.77 . . . . 72.21 106.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.13 84.6 2.17 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.435 -0.95 . . . . 74.23 108.435 -141.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -139.76 63.62 1.48 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.294 2.238 . . . . 64.41 106.939 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -149.77 18.19 0.9 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.041 -1.037 . . . . 75.51 111.283 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.21 111.11 5.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.849 -1.157 . . . . 75.51 108.773 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.72 128.98 49.22 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 106.84 -1.541 . . . . 71.11 106.84 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -111.51 -168.77 1.35 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.071 0.949 . . . . 75.24 110.11 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.96 -171.62 0.74 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.102 1.361 . . . . 75.52 111.246 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.6 p -137.5 172.18 13.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.406 1.082 . . . . 75.15 108.465 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -25.0 66.18 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.646 0.778 . . . . 73.11 110.009 172.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.08 -64.66 0.85 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.816 0.846 . . . . 63.44 109.276 164.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.67 -48.81 79.14 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.698 0.681 . . . . 73.31 112.774 -167.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -38.48 78.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.432 1.015 . . . . 73.24 110.056 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -71.65 -43.28 66.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.148 -0.453 . . . . 75.54 110.519 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.91 -33.75 74.81 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 117.624 -1.179 . . . . 71.51 111.502 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.61 -60.42 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 107.93 -1.137 . . . . 74.52 107.93 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.99 -39.89 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.799 1.24 . . . . 75.24 111.315 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -70.42 -49.86 44.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.171 -0.956 . . . . 73.31 110.367 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.63 -33.46 70.07 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.954 0.902 . . . . 73.21 109.979 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -65.81 -60.27 3.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.227 0.537 . . . . 73.01 110.258 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -72.97 -21.45 60.85 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.383 -0.823 . . . . 75.03 112.434 -170.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.2 m -59.17 -18.6 37.77 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.633 -0.667 . . . . 74.31 111.719 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -98.29 6.12 47.68 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.261 1.024 . . . . 44.33 111.177 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.2 mtm -135.91 2.14 2.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.945 1.298 . . . . 74.42 112.454 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.92 -150.57 22.14 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 119.335 0.97 . . . . 61.33 111.232 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -133.72 130.72 38.52 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.373 1.069 . . . . 74.33 110.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.61 132.27 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 C-N-CA 125.327 1.451 . . . . 71.25 108.061 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.26 -49.32 23.7 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.821 1.248 . . . . 74.32 109.737 165.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.7 m -145.66 132.43 20.04 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.057 0.943 . . . . 74.15 108.8 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.43 140.81 49.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.794 -1.928 . . . . 52.24 105.794 168.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.01 178.12 9.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.19 2.196 . . . . 72.15 106.285 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 34' ' ' VAL . 47.3 t -123.42 139.23 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.236 -2.505 . . . . 74.12 104.236 172.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -101.58 -3.01 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.194 -0.316 . . . . 72.53 111.486 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.6 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.7 p -169.39 116.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 106.013 -1.847 . . . . 54.32 106.013 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -130.05 131.56 45.86 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.787 -1.19 . . . . 72.55 107.787 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -100.01 97.59 8.43 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 112.923 -1.944 . . . . 75.51 109.246 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 5.74 4.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.166 0.586 . . . . 34.31 112.426 164.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.76 -12.39 7.6 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.371 1.469 . . . . 54.41 112.765 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.4 mt -143.75 -176.48 4.99 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.394 2.278 . . . . 54.15 106.192 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -122.16 79.51 1.6 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.416 -1.698 . . . . 74.32 106.416 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 159.17 42.73 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.94 -1.133 . . . . 71.11 107.94 -175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -153.65 121.6 6.05 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.156 -0.965 . . . . 74.53 109.968 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.7 143.87 37.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 123.725 1.726 . . . . 73.35 110.454 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.99 18.19 0.03 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.256 1.408 . . . . 64.45 112.074 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.28 -153.69 1.27 Allowed Glycine 0 C--N 1.344 1.017 0 CA-C-N 119.511 1.656 . . . . 35.24 112.526 -166.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.5 p -169.72 141.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.937 1.695 . . . . 73.03 107.185 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.66 120.45 65.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 104.83 -2.285 . . . . 73.55 104.83 -170.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -89.79 156.76 18.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.643 1.177 . . . . 75.02 109.604 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.56 -32.61 69.07 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.535 0.734 . . . . 64.33 111.539 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.9 -0.9 53.2 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.622 1.169 . . . . 74.01 112.594 -168.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.08 59.09 2.11 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.361 0.981 . . . . 22.2 111.788 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -136.91 86.83 2.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.096 1.758 . . . . 72.35 106.533 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -84.44 122.26 28.73 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.633 -1.247 . . . . 74.45 107.633 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.44 142.95 48.76 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.851 -1.166 . . . . 74.32 107.851 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 157.06 28.06 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.381 -1.34 . . . . 60.41 107.381 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.69 128.89 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 104.197 -2.52 . . . . 75.52 104.197 -171.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.59 108.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.827 -1.545 . . . . 72.54 106.827 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.52 111.39 22.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.13 -1.804 . . . . 74.23 106.13 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.43 98.26 5.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.283 1.433 . . . . 72.33 107.611 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 t30 66.15 -71.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.984 2.114 . . . . 72.52 112.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -146.15 -14.27 0.46 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.349 2.659 . . . . 74.24 111.925 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 110.71 16.57 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.574 -2.01 . . . . 75.31 105.574 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.92 83.16 2.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.25 -1.389 . . . . 62.33 107.25 168.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.88 155.77 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.48 -0.933 . . . . 75.33 108.48 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -157.38 164.5 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.492 1.117 . . . . 64.44 108.72 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.08 167.06 20.74 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.902 -0.777 . . . . 73.14 108.902 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -68.14 144.99 54.78 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.353 -0.98 . . . . 74.14 108.353 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.46 109.48 13.87 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.242 -1.022 . . . . 75.34 108.242 167.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.65 114.27 7.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 127.06 2.144 . . . . 61.12 106.581 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.246 0.878 0 C-N-CA 125.838 1.655 . . . . 71.13 107.972 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 109.409 -1.476 . . . . 40.42 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -79.45 -13.86 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.021 1.728 . . . . 63.24 112.403 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -65.27 1.03 1.16 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 131.53 3.932 . . . . 72.13 116.181 -169.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -108.94 52.33 0.72 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.477 -1.39 . . . . 64.13 110.645 -163.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -161.76 144.1 11.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.946 0.899 . . . . 75.53 111.873 -165.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.8 173.52 11.07 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.036 1.735 . . . . 72.11 110.131 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 ptm -126.2 175.62 7.66 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.747 1.619 . . . . 75.24 112.53 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.51 161.22 12.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.66 1.584 . . . . 74.34 111.702 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -96.39 176.73 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.661 1.984 . . . . 74.41 110.291 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.22 -40.75 98.35 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.901 -0.777 . . . . 65.44 108.901 162.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -56.71 -49.95 73.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.787 -1.101 . . . . 71.31 110.594 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.45 -57.72 6.47 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.546 1.539 . . . . 73.31 111.042 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 42' ' ' LEU . 1.6 mp -57.52 -42.2 82.36 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.187 0.595 . . . . 63.41 110.396 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -65.27 -43.36 91.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 64.41 110.029 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.06 -36.61 80.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.265 1.826 . . . . 71.15 111.945 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.32 -62.21 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 N-CA-C 106.84 -1.541 . . . . 62.45 106.84 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.2 t -56.63 -49.07 79.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 109.326 -0.62 . . . . 73.44 109.326 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -64.31 -41.58 96.77 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.121 0.873 . . . . 74.14 111.838 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -34.34 69.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.671 0.669 . . . . 62.23 110.268 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.51 5.4 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.989 0.916 . . . . 75.12 112.4 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.64 -9.54 3.18 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 116.419 2.007 . . . . 65.45 116.419 -170.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 p -60.14 -19.81 55.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.751 1.159 . . . . 64.52 110.88 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -94.3 -1.91 53.11 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.85 0.75 . . . . 65.52 111.579 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mtm -119.2 9.86 11.86 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.472 1.109 . . . . 75.35 112.364 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.03 -168.55 24.78 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-O 122.261 0.923 . . . . 72.12 113.778 162.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -101.46 86.32 2.95 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 125.579 2.609 . . . . 74.44 109.346 -172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.21 141.75 17.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 112.878 -1.964 . . . . 73.34 107.695 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.52 -50.28 3.35 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 126.631 1.973 . . . . 75.43 110.31 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -130.88 100.51 5.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.228 -1.767 . . . . 75.42 106.228 -174.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -100.89 117.77 35.61 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 103.694 -2.706 . . . . 74.33 103.694 166.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 -175.34 4.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.238 -1.023 . . . . 64.43 108.238 170.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 34' ' ' VAL . 38.7 t -124.85 130.92 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 105.813 -1.921 . . . . 74.14 105.813 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.263 1.3 pt20 -97.96 -2.9 39.46 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.348 0.499 . . . . 63.33 112.348 170.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.619 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -164.58 104.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 106.111 -1.811 . . . . 73.44 106.111 -166.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -114.29 128.63 56.45 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.032 -1.47 . . . . 75.34 107.032 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 100.09 12.07 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.272 0.558 . . . . 71.22 109.905 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.3 t -70.0 -3.27 15.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.127 1.371 . . . . 72.52 112.541 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 m -133.18 -10.0 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.71 1.004 . . . . 72.14 113.71 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.0 -164.17 1.13 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.324 1.85 . . . . 72.55 107.184 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -126.91 40.36 3.74 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.891 -1.13 . . . . 71.25 109.802 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -101.1 146.38 27.53 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.008 1.723 . . . . 64.33 109.417 -168.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 32' ' ' VAL . 2.7 tm? -142.13 117.68 10.32 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.688 0.795 . . . . 40.03 110.047 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -137.06 161.1 36.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 122.67 1.224 . . . . 63.14 109.783 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.85 37.8 0.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 125.172 1.368 . . . . 41.33 112.13 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.17 -163.6 6.85 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 121.877 0.71 . . . . 61.25 113.727 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -166.52 131.49 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 105.901 -1.889 . . . . 75.52 105.901 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mt -117.42 123.98 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 N-CA-C 105.785 -1.931 . . . . 53.42 105.785 -170.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -85.83 163.6 18.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.316 1.046 . . . . 72.54 110.65 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -65.79 -28.4 68.98 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.526 0.73 . . . . 73.42 110.432 172.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -86.87 9.42 19.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.551 2.34 . . . . 61.31 112.647 -170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.61 46.89 9.29 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 125.756 1.646 . . . . 60.31 113.273 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -128.65 98.44 5.01 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.684 -1.969 . . . . 74.15 105.684 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -90.67 140.07 30.12 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.718 -1.216 . . . . 71.11 107.718 172.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.37 160.92 36.9 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.393 1.877 . . . . 65.12 107.602 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.9 p -121.92 95.47 4.67 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.726 2.011 . . . . 71.22 106.814 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.5 151.11 41.13 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.977 0.511 . . . . 72.33 110.876 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.33 114.01 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 108.22 -1.03 . . . . 63.15 108.22 157.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -90.8 119.88 31.38 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.823 -1.547 . . . . 72.32 106.823 160.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.38 84.07 2.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.739 1.215 . . . . 71.42 108.8 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.72 -73.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.755 1.222 . . . . 44.11 112.204 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -139.1 0.53 1.94 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.177 0.991 . . . . 73.43 112.362 -169.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.46 140.44 44.7 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.736 1.614 . . . . 73.54 107.558 173.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.2 tp -119.16 102.9 9.05 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 105.835 -1.913 . . . . 75.44 105.835 171.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.64 150.69 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 108.218 -1.03 . . . . 63.12 108.218 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -141.41 155.62 45.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.457 1.103 . . . . 73.51 111.298 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -162.6 153.12 16.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.008 1.723 . . . . 71.52 107.343 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.36 140.79 29.24 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 126.011 1.724 . . . . 60.13 107.103 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.18 121.64 19.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.981 -1.489 . . . . 64.33 106.981 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.94 108.48 25.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 106.47 -1.678 . . . . 75.43 106.47 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.536 1.534 . . . . 73.43 107.119 162.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.516 0 N-CA-C 108.746 -1.742 . . . . 74.41 108.746 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 45.43 72.08 0.24 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 127.238 2.215 . . . . 62.14 112.771 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -145.25 -67.15 0.31 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.17 2.188 . . . . 64.12 107.744 -172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.4 28.87 0.56 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.715 1.206 . . . . 72.22 111.182 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -127.78 82.36 2.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.782 1.233 . . . . 73.11 112.527 -158.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.06 147.5 44.05 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.094 0.958 . . . . 72.44 108.546 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mmm -72.16 178.16 4.01 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.474 1.11 . . . . 63.44 109.01 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.87 171.25 0.35 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.794 0.807 . . . . 42.31 110.572 158.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 ' H ' ' HB2' ' A' ' 12' ' ' GLU . 7.4 p -135.85 170.34 16.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 126.704 2.002 . . . . 63.31 107.476 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -59.96 -32.89 71.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 118.677 -0.678 . . . . 71.25 110.165 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -56.78 17.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 118.392 -0.813 . . . . 52.42 111.573 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB2' ' H ' ' A' ' 9' ' ' THR . 2.9 mm-40 -50.38 -56.8 9.83 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 124.695 1.198 . . . . 72.42 109.18 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.09 -43.12 99.37 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.265 0.626 . . . . 73.05 109.684 -173.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.8 m -65.08 -42.74 93.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 117.494 -1.241 . . . . 75.25 111.206 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -59.56 -48.16 82.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.943 1.701 . . . . 75.31 109.039 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.64 -47.97 87.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.056 0.942 . . . . 75.34 109.476 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 56' ' ' PHE . 24.1 t -61.3 -49.34 84.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.448 0.699 . . . . 75.22 111.174 173.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -57.82 -49.07 77.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.067 0.947 . . . . 62.15 110.648 -174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.28 -19.28 64.43 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 124.143 0.902 . . . . 60.45 111.698 -171.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -92.86 -17.15 24.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.946 -0.471 . . . . 74.02 111.607 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.659 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -114.7 -30.12 6.57 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.792 0.837 . . . . 64.41 113.222 -166.073 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p -55.59 -26.67 45.01 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.426 -0.796 . . . . 75.02 111.076 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.63 -14.19 55.18 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.261 1.024 . . . . 64.34 112.045 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.9 ttp -112.38 22.97 14.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.226 1.011 . . . . 75.15 111.298 -154.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.78 -131.06 5.72 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 126.301 1.905 . . . . 35.44 108.626 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.31 95.36 3.27 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.231 1.012 . . . . 72.11 110.441 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 21' ' ' PHE . 62.0 mt -62.82 144.91 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 107.551 -1.277 . . . . 73.42 107.551 168.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.97 -57.98 1.97 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.624 1.57 . . . . 63.01 108.04 170.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.0 m -124.84 113.77 18.33 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 105.979 -1.86 . . . . 64.21 105.979 -168.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 tt -117.45 118.01 31.02 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.101 1.76 . . . . 60.45 109.118 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.93 -173.52 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.817 1.647 . . . . 75.35 106.787 -174.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.9 t -138.57 131.03 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 106.102 -1.814 . . . . 51.52 106.102 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.88 -6.96 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.548 -0.72 . . . . 73.24 112.182 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -159.99 102.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.281 1.833 . . . . 63.25 108.013 -171.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.81 113.72 26.08 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 75.35 106.93 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 0.0 OUTLIER -80.67 108.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.686 -1.227 . . . . 72.34 107.686 170.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -80.96 -15.72 55.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.826 0.85 . . . . 72.43 112.677 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -123.17 -16.89 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.172 1.389 . . . . 73.44 113.901 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.1 mt -103.81 -167.07 1.32 Allowed 'General case' 0 C--O 1.233 0.227 0 N-CA-C 106.354 -1.721 . . . . 72.33 106.354 161.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -133.61 82.99 2.02 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.937 -1.875 . . . . 72.13 105.937 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 42.1 t -133.86 144.65 49.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 126.638 1.975 . . . . 63.42 108.125 -174.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.57 111.57 8.36 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 106.437 -1.69 . . . . 62.34 106.437 172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -135.92 160.12 39.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.214 -1.032 . . . . 75.32 108.214 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.68 -10.02 2.88 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-O 118.059 -1.412 . . . . 55.52 113.689 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.6 -176.09 1.67 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.712 1.256 . . . . 75.21 116.209 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.8 154.43 19.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 125.89 1.676 . . . . 60.31 109.038 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.78 142.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 106.759 -1.571 . . . . 75.42 106.759 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.16 164.85 11.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.362 1.865 . . . . 74.15 110.054 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.03 82.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 64.11 111.553 174.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 21.11 0.97 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.172 1.389 . . . . 74.24 110.784 -175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 59.68 7.49 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.801 1.667 . . . . 75.01 111.908 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.62 89.36 2.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.965 -1.494 . . . . 75.53 106.965 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -94.06 126.25 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 106.639 -1.615 . . . . 71.45 106.639 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -134.34 132.0 38.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 119.434 1.016 . . . . 72.42 110.732 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -92.88 74.73 4.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.852 1.261 . . . . 74.22 110.574 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -57.32 133.99 55.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.155 -0.475 . . . . 73.03 109.921 167.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 p -138.0 108.03 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 105.928 -1.879 . . . . 74.25 105.928 170.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -93.03 122.47 35.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.019 -1.474 . . . . 75.31 107.019 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -120.85 104.41 9.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.609 1.164 . . . . 75.33 108.201 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 59.31 -64.26 0.04 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 128.1 2.56 . . . . 61.15 115.054 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -141.87 -8.02 0.94 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.801 2.041 . . . . 63.25 113.833 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.93 144.82 27.67 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.227 1.376 . . . . 74.12 108.419 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -127.76 125.03 39.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.165 0.893 . . . . 71.05 109.46 177.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.22 152.26 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.954 1.302 . . . . 75.11 108.703 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -156.33 174.16 15.81 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.434 1.894 . . . . 53.13 110.175 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.98 -81.43 0.14 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.018 -0.992 . . . . 75.33 109.64 162.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.29 156.98 22.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 129.396 3.078 . . . . 75.31 105.281 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 115.75 31.23 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.696 1.198 . . . . 75.35 108.235 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 98.09 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 106.194 -1.78 . . . . 60.22 106.194 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 116.724 -1.608 . . . . 71.12 110.483 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.411 -1.076 . . . . 54.44 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.82 179.77 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.077 1.751 . . . . 75.13 111.266 167.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 44.81 63.65 1.64 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 129.759 3.224 . . . . 74.23 113.898 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -150.89 37.49 0.64 Allowed 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.477 1.111 . . . . 74.25 110.516 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -71.33 -177.87 1.91 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.777 1.231 . . . . 64.22 112.719 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.83 172.83 12.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.972 1.709 . . . . 74.54 110.659 172.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 63.4 mmm -95.25 161.47 14.09 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.336 1.055 . . . . 72.53 109.521 165.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -63.73 141.66 58.68 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.823 0.821 . . . . 74.24 111.734 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -78.34 171.34 15.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.656 0.741 . . . . 74.22 111.174 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -55.28 -46.46 76.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.738 -1.125 . . . . 44.32 108.515 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -54.32 -56.69 16.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.275 -1.345 . . . . 72.34 110.33 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -56.13 -48.9 75.36 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.169 1.349 . . . . 72.54 111.183 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.7 -42.25 91.39 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.92 -0.487 . . . . 72.53 110.846 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -61.89 -44.97 95.71 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.536 -0.728 . . . . 64.15 111.249 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.14 -53.59 56.34 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.531 1.532 . . . . 42.35 109.638 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mt -50.75 -49.41 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.115 0.966 . . . . 75.51 109.556 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.88 -43.11 97.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 O-C-N 121.419 -0.801 . . . . 52.35 110.775 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -67.0 -49.08 66.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 121.55 -0.719 . . . . 74.11 111.098 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.02 -13.37 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.442 1.897 . . . . 64.52 111.899 -167.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.61 -61.37 1.95 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.336 1.054 . . . . 72.12 109.202 164.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -67.84 -18.97 64.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.455 -0.778 . . . . 75.41 112.301 -169.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.2 p -54.11 -32.52 55.23 Favored 'General case' 0 CA--C 1.521 -0.142 0 C-N-CA 124.567 1.147 . . . . 51.33 111.479 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -90.65 -10.17 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.548 0.739 . . . . 74.44 110.061 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 74.9 mtm -111.03 9.5 22.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.97 1.308 . . . . 73.43 112.092 -169.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.15 -152.61 23.78 Favored Glycine 0 C--N 1.338 0.651 0 O-C-N 121.112 -0.992 . . . . 42.14 111.188 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -119.35 100.58 7.4 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.455 1.102 . . . . 55.42 109.407 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 21' ' ' PHE . 3.6 mt -67.89 135.54 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.985 -1.857 . . . . 42.52 105.985 172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.58 -60.06 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.116 -1.068 . . . . 72.22 108.116 168.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.0 m -129.51 128.92 43.81 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.688 0.795 . . . . 73.04 109.24 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 tt -128.0 120.37 27.41 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.152 -1.796 . . . . 54.51 106.152 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.08 -179.8 8.22 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.038 1.735 . . . . 64.04 107.733 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.9 t -129.71 138.38 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 105.789 -1.93 . . . . 63.31 105.789 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.49 -2.52 25.17 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.965 -0.459 . . . . 74.24 111.666 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.9 p -169.01 116.47 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 107.353 -1.351 . . . . 73.15 107.353 -168.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -118.1 122.56 43.42 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.608 1.163 . . . . 63.15 108.748 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.85 91.54 8.65 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.798 0.839 . . . . 70.43 109.196 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.29 -11.06 60.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.443 1.497 . . . . 63.13 113.077 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.98 1.5 10.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.35 1.06 . . . . 62.22 111.514 -174.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.98 -155.49 0.59 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.005 2.122 . . . . 42.45 105.867 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -137.43 64.93 1.51 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.291 -1.374 . . . . 75.24 107.291 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.39 139.79 52.29 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.331 1.053 . . . . 61.43 109.349 -174.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.32 112.92 11.4 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.861 0.864 . . . . 72.22 108.682 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.22 156.34 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.839 1.255 . . . . 71.43 108.784 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.35 11.02 0.22 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-O 117.606 -1.663 . . . . 52.44 115.043 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.83 169.4 5.8 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 120.075 1.938 . . . . 61.45 115.371 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.88 129.34 3.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 127.044 2.137 . . . . 41.54 107.32 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.25 123.68 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 104.985 -2.228 . . . . 73.02 104.985 -172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.45 20.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.537 1.062 . . . . 73.02 111.728 172.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -60.0 -45.15 93.67 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.795 0.838 . . . . 72.25 109.535 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.22 24.41 2.91 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.963 1.705 . . . . 75.01 110.962 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.95 51.75 4.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 123.598 0.618 . . . . 32.12 114.046 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -133.83 85.86 2.24 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.985 -1.487 . . . . 63.11 106.985 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -90.65 122.66 33.62 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.467 -1.309 . . . . 64.03 107.467 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -131.71 132.6 44.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 123.949 0.9 . . . . 52.55 109.533 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 68' ' ' GLU . 8.5 p -90.25 52.03 2.16 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.777 1.631 . . . . 65.12 110.261 -167.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 21' ' ' PHE . 2.6 m-85 -44.78 121.66 2.83 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.262 1.425 . . . . 71.35 111.202 -170.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.11 122.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 105.472 -2.047 . . . . 52.32 105.472 166.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -108.59 98.3 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.381 -1.711 . . . . 73.25 106.381 160.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -86.24 108.36 18.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 105.845 -1.909 . . . . 73.25 105.845 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.38 -68.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.311 1.844 . . . . 72.12 114.404 161.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -141.23 11.15 2.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.551 2.341 . . . . 74.22 110.162 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.58 103.04 4.93 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.093 1.315 . . . . 72.32 111.97 -164.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -81.21 122.39 27.34 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.65 1.18 . . . . 52.05 108.554 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.25 131.85 58.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.278 -1.008 . . . . 55.12 108.278 165.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -121.55 172.53 8.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.76 0.824 . . . . 72.42 111.88 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -86.13 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.146 1.378 . . . . 70.24 109.887 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -174.1 159.89 3.33 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.482 1.913 . . . . 74.15 109.371 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -66.3 127.12 30.99 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.596 1.558 . . . . 73.31 110.496 173.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.54 104.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 103.228 -2.878 . . . . 74.15 103.228 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.25 1.125 0 C-N-CA 126.093 1.757 . . . . 74.25 110.013 -169.556 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 N-CA-C 107.301 -2.32 . . . . 62.31 107.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 7.83 41.76 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.811 0.671 . . . . 73.43 112.811 -164.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -103.14 98.11 8.1 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.786 -1.19 . . . . 71.41 107.786 154.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -159.81 39.61 0.19 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.131 1.772 . . . . 71.34 107.606 156.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -77.92 114.04 16.4 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.066 -1.646 . . . . 60.51 109.332 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 mt -110.18 132.31 54.28 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 107.003 -1.48 . . . . 75.35 107.003 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.4 ptm -73.93 174.91 7.88 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.264 0.626 . . . . 55.33 110.412 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -59.81 178.16 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.336 1.854 . . . . 63.31 112.804 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -127.45 169.81 13.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.42 1.088 . . . . 60.31 109.736 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -55.63 -35.59 66.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.003 1.721 . . . . 75.55 110.055 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -51.22 -62.56 1.54 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 125.731 1.612 . . . . 73.41 110.582 172.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -58.52 -50.3 74.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 60.24 110.249 -167.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -48.76 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.303 0.641 . . . . 63.25 110.111 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.0 m -66.21 -40.25 90.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.016 -0.993 . . . . 63.23 110.333 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.65 -38.09 86.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 117.724 -1.131 . . . . 75.45 111.93 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.61 -58.41 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 107.344 -1.354 . . . . 71.55 107.344 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.21 -28.96 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 121.775 -0.578 . . . . 44.15 111.339 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -65.56 -58.88 4.72 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.749 -1.22 . . . . 62.21 109.888 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.11 -43.76 64.12 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.57 1.548 . . . . 75.31 109.303 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.99 -6.3 37.76 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.46 0.911 . . . . 75.51 113.46 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.88 -19.96 7.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.584 1.154 . . . . 64.1 112.76 171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -60.31 -19.17 54.06 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.843 -1.16 . . . . 75.4 111.799 -173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.37 33.59 3.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.281 1.032 . . . . 75.25 109.618 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.5 mtm -135.97 11.66 3.36 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.544 -1.347 . . . . 72.54 112.922 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.59 -158.22 23.14 Favored Glycine 0 C--N 1.339 0.749 0 CA-C-N 119.823 1.192 . . . . 72.34 113.383 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.97 109.9 21.91 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.938 1.295 . . . . 71.13 109.666 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.4 131.66 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 114.296 -1.32 . . . . 72.34 107.592 165.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.24 -36.33 30.12 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.689 0.796 . . . . 60.43 111.328 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.9 m -148.24 122.88 9.83 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 105.741 -1.948 . . . . 42.3 105.741 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -112.38 131.71 55.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.177 -2.157 . . . . 72.51 105.177 170.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.79 -171.11 3.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.919 1.288 . . . . 61.53 108.248 174.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' H ' ' A' ' 34' ' ' VAL . 57.7 t -131.65 146.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 103.748 -2.686 . . . . 73.41 103.748 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -108.41 -1.94 19.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.821 0.304 . . . . 61.41 111.821 168.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.707 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.5 p -163.85 112.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.333 -1.358 . . . . 75.13 107.333 -171.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -109.8 108.48 18.83 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.11 -1.811 . . . . 55.15 106.11 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 101.39 0.94 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.138 -0.69 . . . . 71.52 109.138 171.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -72.99 -17.5 61.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.891 0.877 . . . . 53.24 112.565 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.4 m -120.92 1.33 10.42 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.236 0.926 . . . . 55.05 112.488 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -138.76 -169.53 2.64 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 107.282 -1.377 . . . . 73.24 107.282 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -131.08 78.66 1.85 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 105.521 -2.029 . . . . 75.41 105.521 -170.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.07 153.98 48.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.689 1.595 . . . . 74.35 109.654 -175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -149.31 116.27 5.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.228 0.611 . . . . 75.32 109.874 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 57' ' ' VAL . 39.8 t -132.25 160.0 42.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.501 1.143 . . . . 54.33 109.557 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.31 5.05 0.05 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-O 116.85 -2.083 . . . . 61.22 114.309 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.44 -168.35 0.34 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 121.808 2.804 . . . . 75.13 113.646 -164.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -162.4 131.27 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.624 1.57 . . . . 75.3 108.021 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.53 138.69 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.437 1.895 . . . . 74.14 106.7 -175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -108.26 157.58 18.22 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.538 1.135 . . . . 74.43 110.797 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.58 -36.16 78.36 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.498 -0.751 . . . . 74.14 111.388 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.88 -0.06 22.74 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.717 -0.614 . . . . 64.4 111.731 177.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.6 59.61 1.99 Allowed Glycine 0 C--N 1.34 0.753 0 C-N-CA 126.065 1.793 . . . . 72.13 111.962 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -134.49 82.57 1.98 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.384 1.073 . . . . 73.22 108.711 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -80.17 131.74 35.77 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.449 -0.945 . . . . 75.2 108.449 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -134.72 140.03 45.65 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.456 0.703 . . . . 74.51 109.809 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -94.2 74.81 4.01 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.265 2.626 . . . . 73.23 108.462 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.15 134.23 56.3 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.508 1.123 . . . . 75.11 109.615 163.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.2 t -136.32 110.55 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.878 2.871 . . . . 63.22 105.199 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -101.73 113.79 27.28 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.624 0.77 . . . . 63.51 109.658 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.47 95.49 5.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.746 1.218 . . . . 73.34 108.75 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 61' ' ' GLU . 6.6 t30 54.38 -51.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 1 C-N-CA 132.12 4.168 . . . . 70.21 116.45 -175.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 60' ' ' ASN . 30.6 mt-10 -145.34 -21.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.877 2.071 . . . . 74.43 111.337 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.09 122.39 27.79 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.289 -1.374 . . . . 74.13 107.289 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 92.82 4.28 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.016 -1.105 . . . . 74.54 108.016 175.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.0 134.39 29.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 123.993 0.917 . . . . 43.41 108.931 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 150.49 48.72 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.616 1.166 . . . . 62.25 109.904 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.79 -171.83 4.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.929 -1.137 . . . . 62.12 107.929 154.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -121.39 125.1 46.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 126.927 2.091 . . . . 73.43 106.314 -165.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.5 112.78 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 120.039 1.29 . . . . 72.44 110.643 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -142.28 119.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 106.872 -1.529 . . . . 64.41 106.872 171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.402 1.481 . . . . 63.13 108.512 163.499 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.773 0 N-CA-C 107.36 -2.296 . . . . 61.23 107.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.46 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 127.531 2.332 . . . . 64.0 107.153 -158.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.51 -79.63 0.16 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.875 0.47 . . . . 73.2 111.017 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -150.27 8.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.624 -1.298 . . . . 63.21 113.707 -173.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.83 46.48 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.411 1.634 . . . . 63.23 115.411 -163.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.0 mt -139.47 108.56 6.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.228 -1.768 . . . . 73.3 106.228 -164.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.2 mmm -83.53 164.81 19.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 118.827 0.74 . . . . 62.33 109.557 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -52.21 127.87 23.26 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.612 -0.722 . . . . 63.34 109.501 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -71.05 170.33 13.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.492 0.663 . . . . 70.04 109.572 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.44 -33.66 72.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.416 -0.957 . . . . 74.02 108.416 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.16 -63.42 1.19 Allowed 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 116.646 -1.645 . . . . 74.1 110.811 169.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -50.24 -51.79 41.57 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.437 1.471 . . . . 71.34 111.246 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.93 -44.56 96.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.953 0.501 . . . . 74.21 110.195 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.6 m -64.76 -44.39 90.2 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.061 -0.971 . . . . 64.04 111.822 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -46.57 85.84 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 125.129 1.372 . . . . 70.02 108.717 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.5 mt -51.58 -59.84 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 124.519 1.128 . . . . 63.03 109.618 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.0 -33.54 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.589 -0.694 . . . . 74.11 111.151 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.06 -50.04 51.98 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.099 -1.001 . . . . 74.33 109.681 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.06 -36.95 52.13 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.26 1.424 . . . . 71.01 109.8 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -72.39 -57.67 4.01 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 122.483 -0.136 . . . . 74.14 111.289 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -19.36 57.72 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.942 -1.099 . . . . 70.24 113.452 -169.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -60.02 -21.65 61.6 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.637 -1.289 . . . . 63.41 111.267 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.8 7.7 44.8 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.516 1.127 . . . . 70.43 111.656 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.8 mtm -125.23 10.4 8.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.614 1.166 . . . . 74.41 111.826 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.62 -146.12 16.24 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 119.273 0.942 . . . . 51.42 114.01 164.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -125.53 94.96 4.29 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.333 1.853 . . . . 73.44 107.897 -168.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.07 142.26 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.94 1.696 . . . . 74.53 108.083 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.08 -27.33 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.907 0.706 . . . . 63.35 112.907 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.9 m -160.29 91.62 0.94 Allowed 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.488 -1.671 . . . . 50.35 106.488 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -79.01 134.88 36.77 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 106.734 -1.58 . . . . 72.2 106.734 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.99 172.02 16.65 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.68 1.592 . . . . 72.23 107.569 175.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 34' ' ' VAL . 15.8 t -131.59 127.99 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.815 -1.55 . . . . 74.33 106.815 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.01 -18.24 47.52 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.717 -0.793 . . . . 73.24 111.151 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.1 m -156.34 77.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 106.533 -1.655 . . . . 74.0 106.533 -154.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 10.4 t80 -75.68 111.23 10.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 106.458 -1.682 . . . . 70.01 106.458 171.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.24 133.24 41.41 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.963 -1.125 . . . . 74.42 107.963 167.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 35' ' ' TYR . 95.3 p -126.86 -8.59 6.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.75 1.22 . . . . 61.41 112.716 -174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -103.8 -11.54 17.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.406 1.082 . . . . 61.04 109.61 167.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.8 mt -132.13 -170.9 2.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.295 2.238 . . . . 52.5 106.529 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.56 77.34 1.69 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.373 -0.973 . . . . 72.1 108.373 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.97 134.09 34.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.975 1.31 . . . . 73.3 108.552 -172.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -121.07 115.86 23.91 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.538 -0.912 . . . . 72.21 108.538 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.63 153.08 35.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 108.374 -0.973 . . . . 74.11 108.374 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.32 1.45 0.03 OUTLIER Glycine 0 C--N 1.335 0.526 0 N-CA-C 118.505 2.162 . . . . 65.44 118.505 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.64 168.4 0.42 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-N 120.485 2.143 . . . . 73.41 113.187 -163.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.57 112.55 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 124.59 1.156 . . . . 43.42 108.771 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.37 141.01 15.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 126.654 1.982 . . . . 72.55 108.217 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.57 166.62 16.35 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.497 1.919 . . . . 74.23 111.221 -174.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.24 -8.52 46.61 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 41.05 113.927 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.39 6.16 9.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.058 0.943 . . . . 74.33 113.255 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.14 -4.17 80.8 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 123.997 0.808 . . . . 52.11 113.582 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -71.49 82.03 0.8 Allowed 'General case' 0 N--CA 1.46 0.044 0 C-N-CA 125.662 1.585 . . . . 73.25 111.218 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -86.56 127.96 34.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.897 -1.149 . . . . 73.13 107.897 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -132.68 150.13 52.2 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.0 1.32 . . . . 62.33 109.198 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -100.61 78.59 2.0 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 127.845 2.458 . . . . 74.41 108.938 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.21 136.22 55.58 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.883 0.873 . . . . 73.23 110.981 174.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.09 114.13 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.029 2.132 . . . . 73.44 106.528 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -109.85 131.7 54.82 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.519 1.528 . . . . 72.1 109.719 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.22 96.87 2.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.348 1.459 . . . . 51.54 109.041 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 66.95 -53.7 0.45 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 129.387 3.075 . . . . 74.21 114.987 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.3 -13.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.05 1.74 . . . . 73.31 111.932 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 138.91 32.53 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.042 -1.466 . . . . 65.14 107.042 169.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.38 101.31 5.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.795 -1.557 . . . . 63.21 106.795 171.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.1 158.08 4.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.341 -1.355 . . . . 73.13 107.341 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -150.87 156.48 41.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.75 1.22 . . . . 72.32 109.436 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -155.99 -173.66 4.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.12 1.768 . . . . 73.54 107.069 163.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.94 152.12 50.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.719 1.208 . . . . 71.53 110.743 -166.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -87.46 58.28 4.87 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.548 0.739 . . . . 63.55 109.264 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 t -132.22 79.86 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 105.827 -1.916 . . . . 62.32 105.827 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.057 0.943 . . . . 72.31 108.469 176.298 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 CA-C-O 120.084 -0.286 . . . . 51.14 112.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -55.68 158.22 3.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 117.973 0.887 . . . . 73.54 111.088 167.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -135.96 -50.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.834 2.053 . . . . 72.5 108.947 168.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -163.5 83.81 0.47 Allowed 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.455 -0.942 . . . . 74.22 108.455 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.89 -176.8 6.08 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.407 1.483 . . . . 70.41 109.177 174.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.7 mt -110.44 130.78 55.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.121 1.368 . . . . 70.31 107.931 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.9 mmm -71.5 176.22 4.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.613 0.642 . . . . 73.44 110.044 171.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -72.19 161.49 30.8 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.424 -0.797 . . . . 74.52 108.976 167.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -113.43 175.42 5.46 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.036 0.534 . . . . 65.54 110.381 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -52.81 -40.07 62.96 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.707 1.203 . . . . 71.52 110.205 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.44 -65.37 0.6 Allowed 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 117.943 -1.027 . . . . 74.52 109.31 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.42 -49.23 78.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.524 1.14 . . . . 73.42 109.474 -168.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.18 -39.68 75.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.283 -0.865 . . . . 65.1 110.31 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 m -69.89 -52.65 22.92 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.262 -0.875 . . . . 74.54 110.783 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.3 -42.68 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.081 1.752 . . . . 62.4 110.651 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.46 -56.82 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.848 1.259 . . . . 64.43 109.126 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.67 -37.18 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.979 1.312 . . . . 71.53 110.829 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -61.25 2.51 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.648 1.579 . . . . 74.14 108.506 170.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.64 -29.69 70.81 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.869 0.692 . . . . 70.14 112.869 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -65.13 -46.68 79.95 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.206 -0.934 . . . . 63.42 110.561 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -89.3 -24.43 22.03 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.452 0.908 . . . . 73.03 113.452 -169.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.2 p -63.78 -17.12 62.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.63 1.104 . . . . 74.34 111.37 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -98.23 -0.08 44.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.359 1.464 . . . . 63.14 110.982 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 52.1 mtm -122.49 13.25 10.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.173 1.789 . . . . 71.44 111.531 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.87 -170.04 22.62 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 118.907 0.776 . . . . 71.53 114.285 160.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.12 96.1 10.42 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 122.794 1.283 . . . . 63.22 111.122 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.2 124.9 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 113.965 -1.471 . . . . 63.21 107.386 166.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.6 2.2 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.357 1.063 . . . . 52.2 108.37 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -125.54 120.03 29.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.435 1.094 . . . . 63.53 109.069 -171.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.55 112.7 19.26 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.841 2.056 . . . . 63.3 106.974 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.7 172.28 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.14 1.776 . . . . 44.24 109.598 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG12 ' H ' ' A' ' 34' ' ' VAL . 5.8 t -132.91 130.99 59.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.047 -1.094 . . . . 61.23 108.047 175.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -89.75 -8.25 52.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.924 0.489 . . . . 70.42 110.804 173.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.622 ' H ' HG12 ' A' ' 32' ' ' VAL . 3.8 p -161.2 121.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 119.971 -1.706 . . . . 64.45 109.768 -169.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.82 116.03 23.71 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.439 -1.689 . . . . 74.31 106.439 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.8 98.63 2.99 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.711 -0.848 . . . . 73.44 108.711 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.8 p -85.43 8.55 18.54 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.887 1.069 . . . . 74.5 113.887 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -125.16 -4.47 7.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.432 1.093 . . . . 70.21 111.834 168.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.2 mt -142.61 -171.35 3.4 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.225 1.375 . . . . 74.53 108.135 -171.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -124.78 76.11 1.48 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.785 -1.191 . . . . 54.03 107.785 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t -137.38 140.53 41.44 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.391 1.476 . . . . 74.45 107.413 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -145.33 114.21 6.89 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.46 -0.941 . . . . 74.1 108.46 -178.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 t -134.52 149.26 29.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.238 -1.023 . . . . 73.13 108.238 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.96 40.65 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 117.859 -1.523 . . . . 45.24 113.066 170.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.28 -163.18 17.42 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.335 1.568 . . . . 23.13 113.238 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 21' ' ' PHE . 6.0 p -175.83 134.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 128.662 2.785 . . . . 73.51 105.344 167.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -117.33 120.25 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 105.646 -1.983 . . . . 73.31 105.646 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.39 160.58 20.6 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.959 0.904 . . . . 65.23 111.641 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -30.67 68.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.465 1.506 . . . . 74.34 111.728 168.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 22.94 4.15 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.525 1.13 . . . . 65.54 111.178 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.87 59.09 11.41 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.631 1.586 . . . . 72.55 111.581 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -129.26 97.12 4.49 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.154 -2.165 . . . . 72.43 105.154 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -86.32 119.92 27.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.482 -1.673 . . . . 71.45 106.482 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -122.3 122.03 38.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.606 -0.887 . . . . 74.43 108.606 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.2 p -69.76 80.63 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.323 1.849 . . . . 73.12 111.225 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.75 127.48 32.92 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 120.589 -1.319 . . . . 74.14 109.107 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.02 122.58 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.211 1.804 . . . . 72.32 106.582 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -119.46 131.41 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 124.297 1.039 . . . . 70.53 111.209 170.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -133.19 151.1 51.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 73.23 107.154 160.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.8 t30 43.87 -74.45 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.999 3.72 . . . . 74.23 116.784 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -156.35 14.92 0.32 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.781 2.433 . . . . 73.05 111.271 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -117.32 80.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.784 1.634 . . . . 73.42 107.126 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -67.71 117.5 9.71 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.354 -1.35 . . . . 74.21 107.354 167.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.64 147.12 16.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.951 -1.129 . . . . 70.11 107.951 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -140.08 146.91 39.53 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 122.271 1.034 . . . . 74.43 111.788 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -149.78 167.31 26.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.117 2.567 . . . . 71.54 108.133 171.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.05 135.1 33.74 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.34 2.256 . . . . 73.42 106.735 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.9 105.41 9.07 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.937 1.244 . . . . 65.55 108.827 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.17 26.83 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.128 1.371 . . . . 73.31 111.215 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.469 2.707 . . . . 74.31 112.012 -163.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.706 0 N-CA-C 108.314 -1.914 . . . . 55.41 108.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.21 86.97 6.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.005 -1.48 . . . . 63.14 107.005 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -90.03 74.44 7.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 106.349 -1.723 . . . . 73.24 106.349 153.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 173.56 9.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.258 2.223 . . . . 72.3 112.112 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -74.58 80.17 1.98 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.984 1.265 . . . . 74.25 109.217 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.39 172.82 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.454 1.102 . . . . 52.43 110.738 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.2 mmm -91.85 172.52 8.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.609 1.563 . . . . 52.34 109.994 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -74.75 -177.3 3.18 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.647 -0.501 . . . . 74.24 109.647 165.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -133.37 169.4 16.99 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.975 2.11 . . . . 63.24 109.334 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.28 -39.76 80.13 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-O 118.336 -0.84 . . . . 60.43 110.752 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -55.1 -50.91 68.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.366 -0.605 . . . . 74.13 109.366 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 119.425 -0.322 . . . . 62.13 110.993 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -48.78 78.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.873 0.469 . . . . 60.41 109.96 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -58.02 -50.95 71.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.8 0.84 . . . . 72.42 111.253 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.91 -37.96 89.39 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 117.711 -1.138 . . . . 64.12 111.285 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.6 mt -53.59 -52.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 119.651 1.114 . . . . 62.4 108.976 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.55 -32.27 40.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 122.014 -0.429 . . . . 53.11 111.346 -171.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -59.66 -56.5 21.05 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.405 1.082 . . . . 74.14 108.732 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.48 1.06 2.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.402 2.681 . . . . 62.43 114.005 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.38 -26.6 12.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.918 1.287 . . . . 74.31 113.374 174.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -114.3 -12.69 12.4 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.62 0.768 . . . . 62.3 111.249 -173.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -59.87 -25.77 65.32 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.94 -1.1 . . . . 64.04 112.529 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.09 -13.38 33.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.325 0.966 . . . . 74.4 110.468 -177.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 45.9 mtp -102.72 4.33 37.94 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.797 1.639 . . . . 70.01 111.331 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.58 -148.07 19.55 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.945 1.26 . . . . 53.3 110.128 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -130.98 118.83 21.2 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.913 1.339 . . . . 55.2 110.623 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.6 mp -70.89 127.79 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 113.884 -1.507 . . . . 75.42 107.357 171.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.25 -82.82 0.06 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.837 -1.542 . . . . 75.32 106.837 159.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -95.33 114.49 26.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.786 -1.19 . . . . 75.33 107.786 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.49 134.97 45.96 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 107.442 -1.318 . . . . 74.52 107.442 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.97 179.47 7.99 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 107.433 -1.321 . . . . 73.54 107.433 162.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.5 t -124.3 125.2 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.333 0 N-CA-C 103.5 -2.778 . . . . 62.42 103.5 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' HG3' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -82.31 -17.68 44.94 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.258 -0.577 . . . . 72.4 111.739 168.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.67 92.2 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.795 -1.557 . . . . 73.4 106.795 -164.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -99.62 135.94 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 127.15 2.18 . . . . 75.24 106.857 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.74 124.91 45.47 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.519 -0.548 . . . . 63.44 109.519 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -97.91 4.38 49.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.505 1.522 . . . . 51.24 112.359 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -121.09 -10.8 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.542 1.537 . . . . 74.42 111.555 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.0 mt -139.16 177.72 7.7 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.236 1.415 . . . . 73.34 109.203 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -112.64 62.79 0.63 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.772 -1.205 . . . . 73.14 109.133 -168.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -128.54 144.63 51.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.834 1.254 . . . . 63.54 110.982 -166.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -142.29 110.52 6.0 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.311 1.044 . . . . 74.52 108.922 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 t -139.82 148.4 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.626 0.727 . . . . 62.51 110.156 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HG3' ' A' ' 33' ' ' GLN . . . 162.52 30.43 0.02 OUTLIER Glycine 0 C--N 1.334 0.427 0 O-C-N 121.152 -0.968 . . . . 74.24 113.383 162.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.5 -169.14 0.7 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 117.594 0.697 . . . . 74.52 112.195 -166.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 142.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 125.197 1.399 . . . . 73.24 107.609 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.47 120.43 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 106.679 -1.6 . . . . 72.21 106.679 -169.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -75.0 160.14 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.112 0.965 . . . . 73.0 112.435 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -33.25 73.99 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.035 2.134 . . . . 60.34 111.927 172.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.62 -3.91 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.008 1.323 . . . . 75.43 112.22 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.39 77.02 0.28 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.963 -1.655 . . . . 62.54 108.963 -166.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -140.37 98.91 3.53 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.58 -2.008 . . . . 73.32 105.58 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -96.72 127.06 42.34 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.886 0.875 . . . . 74.41 109.778 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -129.88 142.88 50.6 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.816 1.646 . . . . 74.24 110.429 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -85.74 57.38 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 54.22 110.712 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -48.17 113.07 0.67 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.735 1.214 . . . . 72.54 110.617 174.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.22 125.28 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 104.413 -2.44 . . . . 70.5 104.413 168.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -109.65 132.95 53.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.235 -1.765 . . . . 74.4 106.235 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -138.96 90.88 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.929 -1.137 . . . . 73.55 107.929 -169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 67.97 -44.46 0.49 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.237 2.615 . . . . 74.31 114.35 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.4 -21.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.168 1.787 . . . . 65.12 112.343 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.8 150.9 32.23 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.489 -0.93 . . . . 74.33 108.489 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 tp -134.33 128.59 34.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.476 1.91 . . . . 70.04 109.394 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.59 158.61 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.966 0.906 . . . . 71.23 110.138 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -169.28 -179.58 3.57 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.666 2.786 . . . . 73.0 108.841 170.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -148.51 -84.86 0.1 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.856 1.663 . . . . 70.34 112.192 177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -151.57 145.81 25.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 130.37 3.468 . . . . 74.32 104.129 161.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 110.04 18.63 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 120.59 -1.319 . . . . 65.13 108.91 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.5 m -126.38 73.05 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 122.167 0.984 . . . . 64.24 108.834 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.25 -0.881 . . . . 74.35 109.323 172.5 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.351 0 N-CA-C 107.827 -2.109 . . . . 72.13 107.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.44 10.91 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.959 0.885 . . . . 54.42 109.06 -135.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -120.23 90.87 3.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 127.609 2.364 . . . . 71.24 107.033 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -157.22 59.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.971 0.908 . . . . 71.04 110.084 -173.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -139.66 130.46 26.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.68 1.592 . . . . 62.01 111.135 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -129.42 159.88 34.85 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.069 1.348 . . . . 74.41 110.309 172.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 72.4 mmm -86.35 175.92 8.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.001 2.12 . . . . 71.11 109.757 164.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -63.85 138.24 58.39 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.397 0.618 . . . . 74.45 110.51 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -75.36 170.1 16.76 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.404 0.621 . . . . 63.21 109.622 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -62.8 -28.91 70.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.054 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.61 -54.52 38.33 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.02 0.928 . . . . 63.23 109.783 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -57.76 -49.85 75.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.014 0.821 . . . . 73.32 109.774 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -58.96 -47.69 84.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.553 -0.737 . . . . 73.1 109.69 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.4 m -57.5 -51.76 68.13 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.076 0.853 . . . . 72.04 110.19 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -30.85 71.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.985 0.914 . . . . 62.44 111.499 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -64.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.505 -0.924 . . . . 73.2 108.505 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.61 -28.45 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.044 0.45 . . . . 62.0 110.594 -168.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -55.6 -61.12 2.57 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 124.342 1.057 . . . . 61.04 109.4 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -22.76 67.06 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.954 0.784 . . . . 52.52 111.66 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.37 -40.57 97.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.897 0.479 . . . . 72.43 110.674 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.22 -21.19 13.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.646 1.35 . . . . 74.3 114.646 -164.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -58.39 -13.87 6.36 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.882 0.873 . . . . 64.42 111.761 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.21 1.45 26.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.92 1.688 . . . . 52.13 110.49 -173.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.9 mtm -132.35 7.33 4.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.597 1.159 . . . . 73.4 112.434 -171.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.55 -142.56 9.0 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 119.998 1.272 . . . . 72.14 114.871 164.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -129.97 91.34 3.11 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 124.126 1.917 . . . . 71.23 109.393 -164.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 30' ' ' LEU . 10.0 mt -76.88 120.55 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 111.643 -2.526 . . . . 73.23 109.379 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.97 65.48 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.936 -1.102 . . . . 61.12 109.899 163.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.4 m -146.69 135.72 22.49 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.318 1.047 . . . . 73.3 110.553 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB2' HG21 ' A' ' 27' ' ' ILE . 1.7 tt -130.83 102.29 6.01 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.28 1.832 . . . . 74.2 107.87 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 176.66 8.5 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.25 1.02 . . . . 74.04 108.951 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 34' ' ' VAL . 6.8 t -117.43 149.18 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 106.846 -1.539 . . . . 63.14 106.846 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -109.12 -6.71 15.5 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.917 0.887 . . . . 74.11 111.369 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' H ' HG12 ' A' ' 32' ' ' VAL . 1.6 p -177.45 120.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 127.392 2.277 . . . . 64.21 107.515 -164.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -124.7 123.13 39.35 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.465 1.906 . . . . 72.02 107.573 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 112.2 20.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 122.164 0.983 . . . . 71.03 108.725 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 p -77.85 -9.63 59.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.733 0.813 . . . . 73.43 112.068 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.75 -10.5 11.75 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.432 1.093 . . . . 51.32 112.652 -175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.1 mt -149.41 160.31 43.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.802 2.041 . . . . 64.43 106.447 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -86.56 37.47 0.74 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.757 -1.214 . . . . 74.31 111.041 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.15 126.32 41.29 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 120.724 -1.235 . . . . 74.22 108.731 -166.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -117.88 120.82 39.05 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 107.847 -1.168 . . . . 52.51 107.847 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 34' ' ' VAL . 50.8 t -127.86 141.78 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.642 0.589 . . . . 63.43 109.663 171.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 10.48 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.064 1.585 . . . . 65.23 117.064 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.29 -172.17 1.3 Allowed Glycine 0 CA--C 1.529 0.965 0 CA-C-N 119.888 1.844 . . . . 65.13 116.684 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 p -145.49 136.51 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 126.784 2.034 . . . . 74.22 108.007 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.19 119.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 106.652 -1.61 . . . . 73.14 106.652 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.92 158.86 25.12 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.278 1.031 . . . . 75.01 111.111 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.28 -33.48 71.12 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.135 0.974 . . . . 75.4 111.309 168.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -73.41 0.2 12.97 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.467 1.507 . . . . 70.22 112.43 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.9 65.24 3.05 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 109.059 -1.616 . . . . 70.43 109.059 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -132.21 97.15 4.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.167 -2.531 . . . . 74.13 104.167 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -86.25 119.07 26.13 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.144 -1.428 . . . . 52.5 107.144 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -109.08 163.93 12.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.562 0.745 . . . . 74.1 109.066 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -104.45 170.7 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.962 0.905 . . . . 70.04 109.245 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -153.39 123.22 6.85 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.009 1.324 . . . . 73.24 108.633 -170.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 65' ' ' TYR . 7.9 p -153.05 78.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 127.295 2.238 . . . . 71.11 106.03 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -77.58 110.99 12.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 104.434 -2.432 . . . . 72.43 104.434 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.41 149.03 41.22 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.378 -0.971 . . . . 74.24 108.378 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 49.19 -69.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 128.76 2.824 . . . . 72.12 113.995 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -165.98 24.2 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.871 2.468 . . . . 73.04 111.05 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -145.28 153.17 41.0 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.329 -1.482 . . . . 73.24 110.506 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' H ' ' A' ' 57' ' ' VAL . 55.9 tp -139.6 131.71 28.02 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.771 1.228 . . . . 72.31 107.989 173.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.64 129.51 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-O 119.076 -0.488 . . . . 70.3 110.753 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 57' ' ' VAL . 1.4 m-85 -156.63 179.39 9.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.044 1.498 . . . . 74.44 115.044 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -134.42 -85.14 0.42 Allowed 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.241 1.817 . . . . 73.11 106.312 164.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -133.09 159.13 40.98 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.752 1.16 . . . . 71.3 111.66 -165.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.65 95.36 0.65 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.19 -1.041 . . . . 72.04 108.19 165.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -123.17 92.56 2.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 124.249 1.019 . . . . 73.24 109.638 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 106.868 -1.53 . . . . 73.34 106.868 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.763 0 N-CA-C 108.858 -1.697 . . . . 52.43 108.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 52.91 -155.1 0.2 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.049 1.34 . . . . 73.54 108.845 -176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -130.68 -81.48 0.54 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.966 -1.124 . . . . 73.31 107.966 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -128.68 63.32 1.46 Allowed 'General case' 0 C--O 1.24 0.582 0 C-N-CA 125.173 1.389 . . . . 74.53 108.313 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -151.36 167.2 28.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.233 1.413 . . . . 73.31 111.245 -172.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.56 172.64 9.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.124 2.17 . . . . 74.11 109.578 162.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 ptm -95.2 169.5 10.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.943 0.897 . . . . 74.22 110.414 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -67.79 175.9 2.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.657 0.783 . . . . 74.13 110.77 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -128.65 174.28 9.55 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.202 -0.936 . . . . 72.53 110.765 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -55.33 -30.93 61.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.048 1.339 . . . . 72.23 110.664 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.17 -56.77 17.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.738 2.015 . . . . 64.12 110.449 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.37 -59.43 5.16 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.091 0.956 . . . . 61.12 108.793 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -37.73 70.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.559 0.743 . . . . 63.31 110.038 -171.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 m -73.32 -50.41 22.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.651 -1.166 . . . . 63.32 111.397 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -61.05 -36.31 79.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.616 1.553 . . . . 62.42 111.2 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.2 -62.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 107.596 -1.261 . . . . 61.13 107.596 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 56' ' ' PHE . 25.5 t -57.04 -38.48 60.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 124.116 0.966 . . . . 72.4 112.492 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -59.19 -61.47 2.61 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 124.5 1.12 . . . . 72.13 109.882 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.31 -37.93 78.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.674 0.79 . . . . 71.01 109.543 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -8.43 53.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.709 1.203 . . . . 75.44 113.926 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -116.33 -14.8 11.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.742 0.817 . . . . 62.14 112.85 170.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -61.12 -23.05 65.23 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.96 -1.087 . . . . 64.3 112.629 -172.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -106.57 6.83 30.37 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.435 1.894 . . . . 60.02 110.029 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.37 4.86 17.86 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.805 1.242 . . . . 72.13 111.895 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.86 -134.41 6.18 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 120.765 -1.209 . . . . 74.42 111.355 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -136.74 110.95 8.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.781 1.632 . . . . 75.23 109.883 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.0 141.3 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.541 -1.281 . . . . 71.03 107.541 163.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.52 -70.18 0.61 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.558 -1.275 . . . . 74.03 107.558 165.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.4 m -105.71 119.08 38.24 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.189 0.996 . . . . 73.3 108.45 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.7 114.06 21.11 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 127.622 2.369 . . . . 73.23 105.429 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -177.03 6.1 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.517 -0.919 . . . . 73.05 108.517 175.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 34' ' ' VAL . 16.2 t -127.79 138.2 55.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 106.378 -1.712 . . . . 55.21 106.378 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.04 -11.02 34.1 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.11 -0.994 . . . . 64.24 111.999 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.608 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.8 m -156.54 85.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.078 1.351 . . . . 50.43 109.226 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.76 115.52 9.1 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 119.968 -1.708 . . . . 73.25 108.919 167.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 90.44 2.11 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.875 -1.528 . . . . 70.43 106.875 166.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p -71.69 -22.14 61.69 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.796 -0.565 . . . . 54.15 112.255 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 39' ' ' LEU . 20.4 m -108.11 -12.14 15.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.395 1.078 . . . . 73.35 113.147 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 38' ' ' SER . 7.3 mp -121.5 -167.26 1.49 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.018 2.127 . . . . 74.44 108.295 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -126.59 68.49 1.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.781 -1.199 . . . . 73.03 108.111 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 164.71 20.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.175 -1.578 . . . . 44.45 108.144 -168.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 115.5 3.62 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.552 1.524 . . . . 54.51 108.577 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.31 157.16 21.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 123.584 0.754 . . . . 61.12 109.572 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.34 11.03 0.22 Allowed Glycine 0 CA--C 1.534 1.249 0 CA-C-O 118.855 -0.969 . . . . 41.11 114.64 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 172.1 4.08 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 119.609 1.704 . . . . 30.13 114.23 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' A' ' 21' ' ' PHE . 1.5 m -142.48 135.84 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 125.317 1.447 . . . . 73.33 108.588 170.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mt -111.1 113.66 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 104.193 -2.521 . . . . 73.2 104.193 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.55 160.61 29.96 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 123.495 0.718 . . . . 60.44 109.577 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -36.81 78.33 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.519 0.727 . . . . 73.13 109.358 167.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -80.98 25.47 0.46 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.285 2.234 . . . . 63.31 110.912 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.56 48.66 70.83 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 127.336 2.398 . . . . 73.3 114.693 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 62.5 mtt-85 -127.97 94.51 3.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.64 1.22 . . . . 71.33 108.477 -177.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -89.63 108.37 19.63 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.21 -1.033 . . . . 74.33 108.21 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 54.9 m-85 -115.79 127.87 55.41 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.082 -0.711 . . . . 73.44 109.082 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -61.19 109.98 1.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.062 1.345 . . . . 62.25 107.502 170.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 63' ' ' LEU . 1.9 t80 -97.55 123.07 41.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 104.154 -2.535 . . . . 70.41 104.154 173.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.77 117.76 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 106.072 -1.825 . . . . 70.44 106.072 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -97.55 129.34 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.961 -1.496 . . . . 71.24 106.961 167.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -163.73 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.503 1.921 . . . . 53.33 107.914 171.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -49.47 12.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.722 1.146 . . . . 62.45 111.387 -173.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.96 14.58 1.04 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.668 1.187 . . . . 61.41 111.707 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.92 152.76 51.33 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.04 1.291 . . . . 65.42 112.301 -172.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -128.42 116.59 19.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.044 0.938 . . . . 74.01 109.248 -166.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.08 153.55 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.622 -1.251 . . . . 65.23 107.622 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -150.58 174.32 13.1 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.141 1.376 . . . . 74.35 108.558 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -146.3 -85.51 0.11 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.742 -1.123 . . . . 64.01 109.423 157.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -166.83 133.63 2.41 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 128.682 2.793 . . . . 73.25 107.685 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.44 108.8 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.106 -1.072 . . . . 65.02 108.106 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.13 97.6 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 107.376 -1.342 . . . . 73.24 107.376 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.249 1.07 0 N-CA-C 105.031 -2.211 . . . . 62.41 105.031 152.106 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.751 0 N-CA-C 110.01 -1.236 . . . . 64.22 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -150.03 -176.78 5.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.543 1.937 . . . . 74.05 107.29 161.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.47 -76.14 0.5 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.958 2.103 . . . . 63.25 106.164 -165.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -153.03 77.61 1.16 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.106 1.763 . . . . 73.14 107.169 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -157.75 97.05 1.54 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.349 -0.982 . . . . 73.33 108.349 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt -126.91 101.8 6.73 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.075 0.95 . . . . 74.32 108.495 -173.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.1 mmm -82.41 178.64 8.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 122.099 0.952 . . . . 72.04 111.342 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -59.33 172.47 0.62 Allowed 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.134 1.374 . . . . 73.35 110.213 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -121.82 166.01 15.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.718 1.207 . . . . 64.55 108.982 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.37 -43.11 83.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 74.54 108.351 169.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.25 -53.1 60.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 117.46 -1.257 . . . . 43.23 111.432 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.48 -54.89 40.44 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.272 0.942 . . . . 73.33 110.683 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.4 74.53 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 118.957 -0.545 . . . . 71.21 110.186 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.5 m -69.54 -45.67 68.25 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.068 -0.968 . . . . 72.14 111.207 171.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.48 -45.23 94.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.313 1.415 . . . . 72.23 110.421 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -55.15 -56.54 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.449 -1.315 . . . . 51.42 107.449 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 56' ' ' PHE . 59.9 t -62.3 -28.21 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.953 0.901 . . . . 75.12 111.415 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.86 -56.59 4.99 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.874 1.27 . . . . 42.02 110.049 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -33.26 75.52 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.591 1.186 . . . . 72.51 111.341 -168.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -65.3 -25.86 67.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.417 1.087 . . . . 71.33 111.781 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.723 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.66 -29.13 12.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.546 1.139 . . . . 63.42 112.698 -176.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 p -62.65 -6.97 4.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.159 1.345 . . . . 74.32 113.272 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -114.07 9.82 17.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.023 2.129 . . . . 71.44 111.516 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm -120.12 6.24 10.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.366 2.267 . . . . 65.55 112.369 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.26 -151.9 17.26 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 119.502 1.046 . . . . 61.22 110.536 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -124.48 131.24 53.49 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 122.97 1.367 . . . . 62.31 111.305 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 21' ' ' PHE . 4.4 mp -91.35 139.09 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 113.797 -1.547 . . . . 73.44 108.434 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.62 -55.78 4.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.575 0.75 . . . . 75.42 109.363 165.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.9 m -137.83 101.7 4.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.534 1.134 . . . . 71.13 109.534 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 17' ' ' VAL . 6.5 tt -79.84 133.61 36.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 104.17 -2.53 . . . . 60.42 104.17 157.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.69 175.5 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.413 1.102 . . . . 73.11 108.217 165.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 34' ' ' VAL 0.328 0.8 OUTLIER -110.07 134.8 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 C-N-CA 129.376 3.07 . . . . 64.42 113.199 168.185 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -94.35 -8.19 39.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.029 -1.441 . . . . 71.24 110.57 163.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.703 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 p -159.06 108.92 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.511 1.505 . . . . 54.25 109.615 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -95.88 111.82 23.71 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.383 -1.34 . . . . 74.51 107.383 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 87.67 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.316 0.646 . . . . 75.14 109.84 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 p -69.28 -16.73 63.64 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 120.168 -1.582 . . . . 62.21 113.329 -165.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -100.01 -10.48 21.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.659 0.784 . . . . 54.21 112.298 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -131.59 -162.82 1.26 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.358 -1.349 . . . . 73.44 107.358 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -134.55 74.31 1.53 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.769 -0.826 . . . . 63.12 108.769 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -136.48 151.86 49.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.64 1.576 . . . . 72.55 109.203 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 42' ' ' LEU . 2.0 tm? -142.41 122.48 13.72 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.128 -1.434 . . . . 74.34 107.128 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 t -139.04 154.49 25.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.153 -0.684 . . . . 72.34 109.153 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.69 2.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 117.516 1.766 . . . . 73.41 117.516 169.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 167.71 37.73 Favored Glycine 0 CA--C 1.534 1.229 0 CA-C-N 120.158 1.979 . . . . 41.22 112.756 -169.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG11 ' CE2' ' A' ' 21' ' ' PHE . 3.5 p -146.51 115.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.181 0 C-N-CA 125.327 1.451 . . . . 71.13 109.008 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.6 115.79 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.862 -1.533 . . . . 53.04 106.862 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -85.37 157.42 20.53 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.444 1.098 . . . . 74.34 111.598 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.67 73.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.673 1.189 . . . . 74.24 110.914 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -87.48 19.29 3.38 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.227 1.011 . . . . 73.31 110.208 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.17 10.72 78.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 120.134 -1.603 . . . . 64.1 114.126 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.361 1.7 ptp180 -85.41 86.95 7.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.938 1.695 . . . . 75.21 114.543 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -81.08 127.09 32.23 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.122 0.969 . . . . 73.1 109.813 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -132.04 139.38 48.54 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.157 0.983 . . . . 71.24 111.595 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -82.77 86.28 6.92 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.534 -1.284 . . . . 74.32 107.534 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -65.86 129.14 38.76 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.16 -1.052 . . . . 64.42 108.16 160.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.01 118.39 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 104.288 -2.486 . . . . 73.11 104.288 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.79 109.94 20.03 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.383 -0.969 . . . . 51.45 108.383 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -111.95 125.01 53.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 106.545 -1.65 . . . . 51.02 106.545 165.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.82 -81.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.75 1.62 . . . . 71.45 113.373 164.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -136.33 -2.83 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.535 1.934 . . . . 74.31 112.248 173.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -96.62 118.61 33.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 120.23 1.377 . . . . 75.11 110.222 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 56' ' ' PHE . 41.3 tp -118.01 114.18 22.76 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.457 1.503 . . . . 72.44 108.231 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.21 155.87 17.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 108.114 -1.069 . . . . 74.23 108.114 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -139.55 156.6 46.8 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.62 1.968 . . . . 71.54 108.328 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -174.87 172.78 2.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.333 2.653 . . . . 53.34 106.484 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -105.58 133.7 49.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.86 1.264 . . . . 54.22 110.118 -159.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.44 137.36 56.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.665 -0.683 . . . . 72.13 110.54 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -142.78 99.22 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 107.207 -1.405 . . . . 75.31 107.207 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.337 1.855 . . . . 73.21 109.619 -175.698 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 108.354 -1.898 . . . . 24.22 108.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.37 18.39 2.23 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.547 1.165 . . . . 75.23 109.664 172.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -149.61 101.59 3.09 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 119.686 -1.884 . . . . 64.32 106.306 -173.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -154.93 88.3 1.18 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.454 -1.313 . . . . 73.41 107.454 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.95 152.04 38.78 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.997 0.919 . . . . 72.43 109.217 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -129.15 157.17 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.027 -1.471 . . . . 74.41 107.027 157.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 165.34 24.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.57 -0.9 . . . . 64.1 108.57 153.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HE2' ' HB3' ' A' ' 40' ' ' GLU . 9.5 mtmt -73.33 178.63 4.42 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.576 -0.898 . . . . 60.03 108.576 166.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -120.07 176.47 5.42 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 120.772 -1.205 . . . . 65.2 111.872 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -51.29 -41.82 60.73 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.999 1.72 . . . . 74.32 110.492 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -57.16 13.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.989 0.916 . . . . 63.14 109.295 176.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -57.73 -44.15 85.83 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.811 0.732 . . . . 53.12 111.279 -174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.247 -0.649 . . . . 64.33 109.247 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.9 m -65.82 -47.96 73.32 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.598 0.759 . . . . 64.31 110.055 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.2 -47.1 87.37 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 125.106 1.362 . . . . 72.44 110.103 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -52.34 -55.69 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.748 1.219 . . . . 71.23 108.683 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.4 -39.02 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 123.291 0.636 . . . . 51.41 110.398 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.04 -47.86 78.56 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.62 0.768 . . . . 74.53 109.602 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.78 6.54 2.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.4 2.28 . . . . 62.1 113.691 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -103.92 -48.37 3.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.691 -1.256 . . . . 75.21 109.583 161.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.41 -24.16 19.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.693 0.997 . . . . 61.24 113.693 -164.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -22.52 64.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.62 1.555 . . . . 72.5 111.551 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -5.97 44.32 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.267 0.627 . . . . 72.43 112.368 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 61.5 mtm -128.71 46.97 2.52 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.266 1.026 . . . . 73.13 110.463 -167.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 -154.4 16.49 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.287 -0.883 . . . . 50.42 111.124 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -133.8 117.82 17.32 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.41 1.1 . . . . 74.44 108.481 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.75 135.56 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.856 2.062 . . . . 63.24 107.365 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -78.38 -52.63 8.3 Favored 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 109.218 -0.66 . . . . 74.45 109.218 171.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -139.03 111.89 7.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.529 -1.286 . . . . 61.44 107.529 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.24 128.54 46.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.883 -1.525 . . . . 72.42 106.883 159.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 -178.17 7.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 106.473 -1.677 . . . . 64.31 106.473 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 34' ' ' VAL . 2.9 t -123.93 140.39 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 106.069 -1.826 . . . . 64.34 106.069 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -100.84 -12.93 18.62 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.708 -0.62 . . . . 73.53 110.803 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -166.17 123.8 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.924 1.689 . . . . 74.2 107.389 -172.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -116.3 151.83 35.06 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.96 1.304 . . . . 72.33 108.004 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.92 98.15 7.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.474 0.484 . . . . 64.23 110.128 -178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -66.72 -15.1 63.29 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.479 -0.763 . . . . 75.14 111.947 171.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -103.59 -22.79 13.55 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.848 1.259 . . . . 71.43 112.92 -174.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -138.22 -161.36 1.17 Allowed 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.8 1.64 . . . . 63.53 108.211 -167.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 7.6 mp0 -129.6 61.37 1.56 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.785 1.234 . . . . 51.12 109.121 -174.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -128.18 144.92 51.16 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.099 1.76 . . . . 75.52 110.65 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 tt -135.78 122.83 21.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.423 1.489 . . . . 73.11 107.298 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 34' ' ' VAL . 48.2 t -132.01 153.83 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 121.469 0.652 . . . . 60.21 109.884 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.76 6.26 0.08 OUTLIER Glycine 0 CA--C 1.525 0.669 0 CA-C-O 118.144 -1.364 . . . . 42.43 115.31 174.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.62 -175.29 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 CA-C-N 120.247 2.024 . . . . 73.21 114.164 -166.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.05 137.71 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 123.942 0.897 . . . . 55.34 109.966 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.74 138.84 32.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 106.675 -1.602 . . . . 74.2 106.675 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 1.8 m-85 -121.16 158.74 27.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 125.605 1.562 . . . . 75.33 109.934 -166.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -43.56 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.316 -0.402 . . . . 74.35 109.937 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -93.92 19.33 9.11 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 54.45 112.322 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.67 77.39 0.38 Allowed Glycine 0 CA--C 1.524 0.642 0 O-C-N 121.167 -0.958 . . . . 20.44 111.355 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -139.11 76.24 1.56 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.976 1.31 . . . . 64.42 107.872 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -94.28 113.06 24.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.042 0.937 . . . . 74.53 109.32 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -137.1 149.8 47.59 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.858 0.863 . . . . 73.13 109.961 -174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -90.98 64.77 5.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.087 2.155 . . . . 73.3 111.723 -170.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.34 125.02 11.63 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.3 1.04 . . . . 74.4 111.041 170.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 43' ' ' VAL . 37.7 t -129.31 118.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 127.329 2.252 . . . . 54.24 105.871 171.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -102.18 133.61 46.76 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.322 0.51 . . . . 63.44 110.431 162.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.78 136.25 22.88 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 123.738 0.815 . . . . 63.23 109.375 161.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.6 t30 45.66 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.907 2.883 . . . . 75.53 114.706 -171.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -149.02 -15.51 0.3 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.172 2.989 . . . . 73.32 111.919 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.53 124.5 25.99 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.928 -1.508 . . . . 73.5 106.928 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -124.87 102.37 7.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.619 -1.252 . . . . 72.44 107.619 168.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.99 149.52 31.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.308 1.043 . . . . 72.24 108.418 -171.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -153.27 172.78 16.48 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.791 1.236 . . . . 75.31 110.847 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -139.28 -170.79 2.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.446 1.099 . . . . 75.1 108.49 157.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -102.52 142.38 33.8 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.811 0.844 . . . . 62.11 109.12 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -79.09 118.5 21.12 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.059 0.944 . . . . 73.4 108.819 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.23 86.3 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 106.651 -1.611 . . . . 75.52 106.651 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.414 1.486 . . . . 75.15 109.814 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 110.051 -1.219 . . . . 61.35 110.051 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -44.59 153.87 0.15 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.448 -0.376 . . . . 71.22 110.748 133.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -169.55 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 107.117 -1.438 . . . . 71.52 107.117 160.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -158.69 38.24 0.23 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.888 1.275 . . . . 73.15 110.283 -173.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -82.49 27.49 0.51 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.13 0.972 . . . . 74.13 113.244 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.4 mt -132.33 158.03 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.572 0.749 . . . . 63.53 110.307 -153.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.9 ptm -76.42 173.34 11.6 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.439 -0.8 . . . . 75.45 110.024 165.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -64.51 173.17 2.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.561 1.144 . . . . 74.42 110.888 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 p -125.6 -177.02 3.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.532 0.733 . . . . 42.45 110.248 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -55.46 -43.45 75.47 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.231 1.013 . . . . 55.42 109.383 175.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.58 -53.21 60.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 124.414 1.071 . . . . 75.52 108.772 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.15 -41.58 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.962 0.727 . . . . 72.13 112.962 -172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.86 -40.52 87.88 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.848 -0.797 . . . . 70.43 108.848 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -61.81 -45.88 91.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.414 -1.279 . . . . 60.12 110.906 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -48.88 70.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.409 1.459 . . . . 74.35 109.717 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.52 -61.06 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 123.925 0.89 . . . . 65.43 108.905 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.31 -33.45 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.239 0.616 . . . . 65.53 110.417 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.7 -60.76 2.28 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.688 1.195 . . . . 74.43 109.568 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.11 -40.11 67.03 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.392 2.677 . . . . 34.5 110.606 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -57.5 -48.83 78.2 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.606 -0.724 . . . . 70.24 109.551 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -33.01 18.94 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.26 1.024 . . . . 74.03 111.592 -167.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -59.05 -23.37 61.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.318 0.963 . . . . 63.4 112.88 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.31 -10.07 59.13 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.774 1.23 . . . . 73.01 110.939 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -115.33 5.83 14.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.62 2.368 . . . . 65.4 111.676 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.44 -178.61 19.18 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.316 1.436 . . . . 74.4 112.388 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -98.41 121.99 41.03 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.332 1.053 . . . . 72.24 109.359 -170.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.29 131.71 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 108.164 -1.05 . . . . 64.43 108.164 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -69.32 0.41 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.529 -0.915 . . . . 61.04 108.529 169.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.8 m -113.76 110.56 20.35 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.215 -1.772 . . . . 73.3 106.215 -172.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -116.98 112.17 20.61 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.639 2.376 . . . . 72.13 108.36 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.65 -173.62 4.58 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.402 2.281 . . . . 75.14 108.72 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 19.1 t -144.56 127.24 10.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 108.143 -1.058 . . . . 71.33 108.143 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.98 -5.87 58.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.943 -1.098 . . . . 75.33 112.708 175.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -161.64 116.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.152 1.381 . . . . 74.14 108.537 -175.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.06 122.94 48.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.268 -1.382 . . . . 75.55 107.268 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.55 109.36 13.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 120.377 -0.529 . . . . 74.52 110.075 173.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -78.78 5.89 10.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.297 1.221 . . . . 64.42 114.297 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -136.2 -33.74 0.81 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.015 1.326 . . . . 70.13 110.484 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.55 -175.8 3.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.187 1.395 . . . . 74.13 107.604 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -126.2 85.73 2.43 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.354 -2.461 . . . . 64.51 104.354 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -146.13 135.76 23.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.954 2.102 . . . . 63.13 108.217 -168.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -140.42 111.28 6.94 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.657 0.783 . . . . 54.34 109.606 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -137.23 154.53 30.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 123.404 0.682 . . . . 65.43 109.825 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 -6.59 0.1 OUTLIER Glycine 0 C--N 1.337 0.609 0 CA-C-O 117.838 -1.534 . . . . 63.14 115.159 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.98 175.37 0.2 Allowed Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.81 2.305 . . . . 54.01 114.553 -162.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.3 150.88 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.664 1.185 . . . . 75.3 109.367 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.91 117.37 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.349 1.06 . . . . 74.3 108.558 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.0 162.52 28.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.558 1.143 . . . . 72.34 110.067 167.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.52 -28.44 69.19 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.571 1.148 . . . . 75.1 110.775 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.12 -23.47 67.45 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.005 1.722 . . . . 71.34 111.174 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.99 62.85 1.95 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.839 -1.305 . . . . 71.42 109.839 -162.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -128.56 99.23 5.29 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.077 -2.194 . . . . 54.32 105.077 171.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -105.53 139.22 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.39 . . . . 71.42 107.248 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -139.91 149.67 43.63 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.296 1.039 . . . . 65.12 108.994 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -94.59 73.37 3.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.157 -1.053 . . . . 72.24 108.157 172.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.32 119.25 6.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.287 -1.005 . . . . 72.13 108.287 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.24 118.15 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 104.986 -2.228 . . . . 63.34 104.986 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -111.88 109.81 19.81 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.737 -1.579 . . . . 74.31 106.737 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -121.16 115.57 23.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.012 -1.477 . . . . 71.43 107.012 -170.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 63.67 -70.97 0.07 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.252 1.821 . . . . 73.14 112.604 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -150.27 0.77 0.45 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.558 1.943 . . . . 71.35 112.632 -171.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.18 152.24 48.98 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.547 1.539 . . . . 72.31 108.721 -165.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 119.58 15.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.083 0.953 . . . . 70.35 108.461 -166.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.26 148.71 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 108.24 -1.022 . . . . 71.04 108.24 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -164.45 168.17 18.74 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.38 1.872 . . . . 73.1 109.056 170.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -129.63 -85.34 0.54 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 116.97 -1.49 . . . . 74.23 110.922 166.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -166.9 157.63 11.93 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 120.734 1.606 . . . . 65.24 107.066 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.9 91.84 3.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.159 -1.423 . . . . 72.33 107.159 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.87 85.52 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 104.861 -2.274 . . . . 52.41 104.861 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.245 0.864 0 C-N-CA 126.234 1.814 . . . . 74.43 109.409 -174.283 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 107.665 -2.174 . . . . 73.12 107.665 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.68 159.91 18.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.112 0.956 . . . . 72.32 108.879 160.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.93 1.39 1.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 124.215 1.006 . . . . 74.11 113.308 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.06 35.9 4.73 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.2 0.909 . . . . 74.01 109.597 -164.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -146.17 101.65 3.53 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.528 1.131 . . . . 75.12 107.951 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -107.04 154.13 21.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.309 1.443 . . . . 75.4 108.489 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 mmm -90.05 168.97 11.58 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.778 1.231 . . . . 73.4 109.457 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -66.0 -176.11 0.37 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.624 0.726 . . . . 71.22 110.498 157.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -133.56 166.12 23.31 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 126.268 1.827 . . . . 74.33 107.8 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.72 -41.72 67.31 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 109.363 -0.606 . . . . 65.01 109.363 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.25 -55.15 13.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.565 0.746 . . . . 73.11 111.279 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.63 -57.56 11.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.606 0.566 . . . . 72.22 110.068 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -56.62 -38.26 71.83 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.496 0.589 . . . . 53.24 110.648 -173.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m -78.39 -34.16 48.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.45 0.7 . . . . 60.3 111.677 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -71.52 -38.37 71.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.489 1.495 . . . . 72.32 110.551 174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.61 -51.36 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.204 1.401 . . . . 72.13 108.606 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.68 -42.02 82.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 O-C-N 121.507 -0.746 . . . . 72.52 112.854 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -57.61 -46.04 84.59 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.285 0.948 . . . . 74.23 110.148 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.68 -13.69 16.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.4 1.08 . . . . 61.35 112.581 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -103.5 -1.44 28.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.24 1.416 . . . . 71.2 112.822 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 -21.14 7.13 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.689 1.196 . . . . 74.32 112.931 169.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 p -62.65 -11.69 18.66 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.868 1.267 . . . . 64.33 113.674 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.11 12.19 10.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.722 1.609 . . . . 71.11 111.472 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.6 mtm -113.59 3.34 15.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.118 0.967 . . . . 61.31 112.571 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.62 -160.22 28.49 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.651 1.114 . . . . 51.15 112.512 165.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -103.42 90.88 3.83 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.721 1.608 . . . . 73.11 109.408 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.12 145.77 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.99 1.316 . . . . 61.42 108.146 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.45 -38.91 4.52 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 126.356 1.863 . . . . 64.51 110.977 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 m -139.51 103.77 4.78 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 106.662 -1.607 . . . . 74.32 106.662 175.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.545 ' HA ' HG12 ' A' ' 46' ' ' VAL . 3.3 tm? -86.59 124.59 33.06 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 104.88 -2.267 . . . . 61.42 104.88 163.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.58 -177.24 5.6 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 120.93 1.695 . . . . 72.15 107.661 168.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 34' ' ' VAL . 59.6 t -122.94 145.93 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 103.622 -2.733 . . . . 73.14 103.622 166.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.7 -4.09 15.52 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.214 0.606 . . . . 74.41 110.734 166.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 ' H ' HG12 ' A' ' 32' ' ' VAL . 39.2 t -152.73 96.59 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 107.017 -1.475 . . . . 61.53 107.017 -165.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -105.87 116.86 32.67 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 105.618 -1.994 . . . . 70.42 105.618 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.85 98.15 9.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 118.962 -1.095 . . . . 72.3 109.615 171.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -65.33 -8.33 17.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.569 1.147 . . . . 72.42 112.636 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 m -118.53 -1.46 11.19 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.69 1.367 . . . . 75.12 114.69 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -139.78 -174.06 3.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.031 1.741 . . . . 73.23 108.682 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -110.78 79.67 1.23 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.416 -1.698 . . . . 75.22 106.416 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -140.21 140.88 35.93 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.477 1.511 . . . . 73.01 108.362 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 13' ' ' LEU . 1.9 tm? -144.61 114.63 7.4 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.653 1.181 . . . . 63.33 109.045 -173.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -133.16 146.5 32.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 122.482 1.134 . . . . 61.52 109.128 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.7 102.94 0.54 Allowed Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.267 -1.933 . . . . 52.01 108.267 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 55' ' ' THR . . . -44.58 174.38 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 125.886 1.708 . . . . 72.24 115.617 165.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 30' ' ' LEU . 9.3 m -140.9 155.15 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.393 1.477 . . . . 73.44 109.545 -170.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.33 126.46 73.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 104.605 -2.368 . . . . 74.15 104.605 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -79.43 169.86 17.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.865 0.866 . . . . 72.41 111.432 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.96 -16.44 63.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.545 1.138 . . . . 72.33 112.167 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -113.21 9.17 18.39 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.4 1.48 . . . . 73.25 114.342 -155.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.31 47.73 16.49 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 123.988 0.804 . . . . 55.43 111.249 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -137.38 87.14 2.24 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.946 -1.872 . . . . 75.34 105.946 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -85.21 128.97 34.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.128 -1.804 . . . . 54.32 106.128 174.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -133.0 125.09 28.95 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.781 1.232 . . . . 73.43 108.37 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 45' ' ' GLY . 1.8 t -64.98 158.41 25.59 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.608 1.163 . . . . 73.42 108.929 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.14 121.57 7.92 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.391 -1.707 . . . . 75.15 106.391 178.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.2 110.9 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.438 -1.689 . . . . 64.1 106.438 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -102.57 95.61 6.35 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.972 1.309 . . . . 71.42 107.706 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.68 92.38 8.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.713 -1.217 . . . . 75.53 107.713 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.98 -67.38 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.874 2.47 . . . . 64.11 113.074 -176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -135.58 -11.65 2.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.569 1.548 . . . . 75.3 112.868 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.5 110.21 19.03 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.82 -1.548 . . . . 71.21 106.82 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.92 96.85 7.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.25 -1.018 . . . . 75.24 108.25 177.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.23 163.21 8.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.532 0.682 . . . . 72.41 109.639 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -166.41 166.06 16.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.531 2.332 . . . . 73.11 107.674 -174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 1.3 pm0 -147.4 -83.44 0.12 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.899 1.28 . . . . 63.54 111.562 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 66' ' ' GLU . 26.0 tt0 -169.73 148.35 3.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.313 2.645 . . . . 43.41 107.052 -173.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -110.27 109.74 20.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.098 -1.445 . . . . 72.41 107.098 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.63 107.83 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 114.96 -1.018 . . . . 73.13 108.455 -171.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 70' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.245 0.835 0 C-N-CA 126.457 1.903 . . . . 61.12 107.952 162.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.731 0 N-CA-C 108.85 -1.7 . . . . 23.04 108.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.27 48.12 0.98 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.989 2.116 . . . . 74.21 110.667 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -141.89 55.95 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.397 1.479 . . . . 74.13 109.846 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 18.78 2.5 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 125.752 1.621 . . . . 70.24 109.952 -172.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -143.32 100.78 3.68 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.543 1.537 . . . . 71.04 109.784 -171.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.7 mt -116.87 162.72 17.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.747 2.019 . . . . 71.14 108.609 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.8 mmm -78.37 -177.99 5.51 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.776 1.63 . . . . 65.23 111.538 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.33 178.15 0.43 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.712 0.805 . . . . 71.33 110.704 164.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -124.66 167.04 15.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 126.41 1.884 . . . . 73.23 108.707 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -42.92 86.11 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 108.469 -0.937 . . . . 70.11 108.469 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -48.25 -58.01 5.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.76 1.624 . . . . 71.14 109.46 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.18 -44.74 94.56 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 117.66 -1.162 . . . . 74.01 111.492 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.57 -45.02 77.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.062 1.301 . . . . 71.41 110.16 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -58.72 -59.26 5.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 50.44 111.644 170.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.04 -27.92 69.74 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.583 1.083 . . . . 52.45 111.988 -168.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.17 -64.58 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.07 -1.085 . . . . 65.32 108.07 170.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.09 -33.4 53.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.755 0.822 . . . . 72.32 109.42 -172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -58.82 -63.63 1.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.281 1.432 . . . . 73.02 109.939 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -28.78 68.27 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.191 0.597 . . . . 70.14 111.521 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.71 -60.04 2.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.093 -0.706 . . . . 73.21 109.093 175.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.88 -24.95 61.75 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 113.606 0.965 . . . . 54.21 113.606 -168.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -60.34 -9.09 3.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.345 1.458 . . . . 61.01 112.984 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -1.88 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.957 1.253 . . . . 64.14 113.302 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.3 mtm -113.86 10.9 17.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.962 0.905 . . . . 73.44 112.513 -174.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.37 -161.09 28.32 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.457 1.027 . . . . 74.23 111.168 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -128.94 97.92 4.79 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.309 1.528 . . . . 73.43 111.864 -165.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.65 127.69 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 C-N-CA 128.311 2.644 . . . . 43.13 108.297 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 48' ' ' PHE . . . -82.04 -70.5 0.54 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.006 -1.85 . . . . 70.04 106.006 159.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -122.32 107.71 12.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.242 1.417 . . . . 74.35 107.966 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.91 137.93 32.59 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.542 -1.651 . . . . 73.22 106.542 158.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 179.38 9.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.32 1.048 . . . . 53.31 108.204 167.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' H ' ' A' ' 34' ' ' VAL . 1.2 p -117.14 128.8 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 C-N-CA 130.247 3.419 . . . . 74.15 111.012 170.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' H ' ' HA3' ' A' ' 44' ' ' GLY . 60.4 mt-30 -89.49 -2.43 58.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.279 -1.343 . . . . 61.35 109.102 165.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 p -162.65 99.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 120.603 1.547 . . . . 74.22 109.53 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.16 127.09 37.51 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.746 1.618 . . . . 70.12 108.397 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -85.26 111.47 19.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.955 1.302 . . . . 74.13 108.834 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 p -72.39 -15.02 61.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 114.614 1.339 . . . . 73.11 114.614 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -123.47 -3.3 8.37 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.51 1.124 . . . . 73.43 111.414 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.1 mt -135.78 -166.95 1.94 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 127.461 2.304 . . . . 63.02 106.552 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.27 86.36 2.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 104.38 -2.452 . . . . 65.34 104.38 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -138.22 137.34 37.45 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.392 1.477 . . . . 63.02 109.018 -176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 tt -132.05 116.67 17.37 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.397 1.079 . . . . 71.43 108.139 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 57' ' ' VAL . 55.0 t -128.5 158.65 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 107.585 -1.265 . . . . 73.34 107.585 168.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.507 ' HA3' ' H ' ' A' ' 33' ' ' GLN . . . 153.94 -5.3 0.33 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-O 117.343 -1.809 . . . . 73.11 116.534 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.55 161.32 33.12 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 119.596 1.698 . . . . 64.25 113.694 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.69 112.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.118 1.767 . . . . 65.34 108.358 -172.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.27 140.36 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.607 1.963 . . . . 71.34 107.966 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 2.0 m-85 -117.71 163.36 16.6 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.317 1.447 . . . . 74.01 112.923 -176.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.62 -33.14 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.617 1.167 . . . . 72.03 112.715 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -103.07 39.88 1.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.011 1.324 . . . . 45.53 108.595 170.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 -9.61 30.04 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 126.401 1.953 . . . . 54.52 117.407 159.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -59.51 122.11 13.22 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 120.106 1.953 . . . . 73.21 109.777 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.6 120.4 42.28 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.05 -1.093 . . . . 74.14 108.05 167.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -123.89 153.52 41.0 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.799 0.84 . . . . 72.22 109.273 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -101.37 104.78 15.77 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.618 1.567 . . . . 74.22 108.92 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.33 160.14 31.83 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.317 -1.353 . . . . 72.44 110.782 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.5 p -147.01 100.15 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 106.375 -1.713 . . . . 64.42 106.375 159.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -87.83 106.45 18.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 105.447 -2.057 . . . . 72.33 105.447 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -119.69 94.1 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.563 1.145 . . . . 73.45 108.092 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 68.49 -54.81 0.53 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 128.302 2.641 . . . . 61.55 111.883 -172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.92 -10.0 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.479 1.512 . . . . 72.15 112.328 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.72 151.01 32.36 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.969 -1.082 . . . . 61.24 109.165 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.1 101.44 3.72 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.04 1.736 . . . . 64.13 108.639 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -150.37 164.47 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 125.5 1.52 . . . . 70.14 108.959 -170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -156.86 171.6 20.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.781 1.632 . . . . 71.41 111.173 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -124.44 -77.72 0.59 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.421 1.088 . . . . 74.15 112.834 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -164.59 146.59 8.43 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.352 2.261 . . . . 72.22 108.246 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.71 102.36 10.18 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.736 1.215 . . . . 73.02 108.103 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -157.47 24.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 121.473 0.654 . . . . 62.43 110.877 -174.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.378 1.871 . . . . 63.04 111.019 -163.49 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.045 0 N-CA-C 110.193 -1.163 . . . . 25.52 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -125.82 2.62 7.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.994 1.717 . . . . 73.14 112.351 -153.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.6 68.27 0.71 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 123.647 1.689 . . . . 64.14 107.824 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -138.05 35.22 2.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.324 1.85 . . . . 72.23 107.577 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -89.98 86.15 6.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 126.377 1.871 . . . . 74.52 108.868 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.4 mt -101.19 135.7 42.23 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.204 -1.406 . . . . 75.11 107.204 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.8 ptm -72.6 -178.75 2.75 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.827 0.822 . . . . 74.31 110.706 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -65.15 -179.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.125 1.77 . . . . 74.23 110.571 172.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -130.79 178.91 6.29 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.115 -0.991 . . . . 63.25 110.567 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -52.46 -38.53 59.56 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 126.621 1.968 . . . . 63.14 111.072 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.81 -50.76 69.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.808 -0.442 . . . . 71.25 109.808 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.27 -47.5 73.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.594 0.758 . . . . 71.13 111.161 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -42.94 71.28 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.83 -0.804 . . . . 71.54 108.83 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 m -65.82 -51.81 55.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.994 -1.003 . . . . 75.55 110.831 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -45.72 67.06 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 124.356 1.062 . . . . 72.52 111.156 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.46 -63.77 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 N-CA-C 108.645 -0.872 . . . . 73.11 108.645 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -63.14 -34.88 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 121.654 -0.653 . . . . 63.53 110.44 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -60.18 -57.73 11.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.085 -0.959 . . . . 62.31 109.149 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.84 -28.72 68.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 124.6 1.187 . . . . 72.32 111.38 -172.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.51 -57.64 9.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.19 -1.041 . . . . 63.35 108.19 173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -75.96 -28.21 57.82 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.781 -0.628 . . . . 73.4 112.509 -168.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 p -54.81 -29.5 54.78 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.576 1.534 . . . . 64.43 113.024 -172.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -78.31 7.53 6.32 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.148 0.979 . . . . 65.24 112.832 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.9 mtm -121.22 9.55 10.46 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.611 1.564 . . . . 64.32 112.515 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.05 -150.2 19.55 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.318 0.961 . . . . 30.42 112.249 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.46 105.79 11.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 122.709 1.242 . . . . 75.43 111.606 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.95 131.75 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.653 -1.158 . . . . 51.0 107.96 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.6 -54.93 6.0 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.358 -0.608 . . . . 74.24 109.358 164.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -133.84 99.72 4.54 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.848 1.259 . . . . 71.1 109.659 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 tt -83.01 125.12 31.08 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 105.145 -2.168 . . . . 72.41 105.145 156.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.54 164.1 36.0 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.325 -1.361 . . . . 73.53 107.325 171.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 34' ' ' VAL 0.281 1.3 p -100.9 142.89 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 C-N-CA 126.348 1.859 . . . . 63.11 109.819 161.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.34 -5.07 15.98 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.066 -1.425 . . . . 71.15 108.529 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG13 ' HB ' ' A' ' 43' ' ' VAL . 1.5 p -165.15 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-O 122.33 1.062 . . . . 64.22 108.95 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -97.21 126.69 42.57 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.9 2.08 . . . . 63.41 105.826 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.02 125.77 31.8 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 106.867 -1.531 . . . . 72.31 106.867 173.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -98.48 -10.76 23.1 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.896 0.702 . . . . 72.41 112.896 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -119.72 -7.71 10.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.285 1.034 . . . . 63.14 111.938 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.2 mt -123.55 165.62 16.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 126.656 1.982 . . . . 71.35 106.585 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.89 58.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.299 -0.876 . . . . 75.41 109.108 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -129.46 150.92 50.6 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 122.145 0.974 . . . . 72.33 112.013 -168.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.86 118.93 15.39 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 127.565 2.346 . . . . 73.25 105.773 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.62 ' HB ' HG13 ' A' ' 34' ' ' VAL . 61.2 t -131.37 158.87 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 N-CA-C 107.785 -1.191 . . . . 73.12 107.785 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.12 5.17 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-O 116.351 -2.361 . . . . 73.34 116.204 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 173.32 26.57 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 120.945 2.372 . . . . 61.52 112.767 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.41 132.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.848 1.259 . . . . 72.4 108.02 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.03 116.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 106.381 -1.711 . . . . 71.34 106.381 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -78.9 162.33 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 118.385 0.539 . . . . 73.53 110.846 166.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.03 -57.21 11.88 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.769 1.228 . . . . 75.14 109.993 167.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 34.44 0.92 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.16 1.384 . . . . 75.51 110.257 -159.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.83 74.39 0.34 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 127.265 2.364 . . . . 63.51 113.154 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -146.4 89.33 1.85 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 106.719 -1.586 . . . . 72.44 106.719 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -100.85 128.27 46.96 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.099 1.359 . . . . 74.12 109.404 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -136.67 130.42 32.13 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 122.917 0.487 . . . . 54.01 111.635 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -78.55 75.1 5.07 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.681 1.592 . . . . 61.53 110.365 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 21' ' ' PHE . 2.1 m-85 -61.83 125.1 22.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.467 1.107 . . . . 72.32 111.211 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.76 129.55 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 126.905 2.082 . . . . 71.15 106.009 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -116.47 125.95 52.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.787 1.235 . . . . 74.15 108.745 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.54 124.05 15.85 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 124.033 0.933 . . . . 74.23 109.763 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 59.8 -64.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.647 2.779 . . . . 73.45 113.346 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.08 -15.61 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.614 2.766 . . . . 62.41 112.313 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.37 132.84 42.37 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 106.853 -1.536 . . . . 72.33 106.853 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -129.77 98.72 4.89 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.721 -1.585 . . . . 72.32 106.721 169.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 p -124.14 143.68 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.889 -1.523 . . . . 72.15 106.889 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -157.01 168.61 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.509 0.724 . . . . 73.34 109.662 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -148.14 164.99 32.21 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.688 1.595 . . . . 64.2 107.553 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.97 145.48 42.52 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.351 0.978 . . . . 72.1 109.76 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.37 109.88 21.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.243 -1.021 . . . . 71.53 108.243 -169.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -132.26 24.42 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 123.125 0.57 . . . . 71.13 112.067 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.251 1.161 0 N-CA-C 107.176 -1.416 . . . . 71.31 107.176 175.254 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.537 0 N-CA-C 107.831 -2.108 . . . . 55.2 107.831 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -135.86 160.56 38.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 122.661 1.22 . . . . 62.42 109.345 169.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.4 -10.47 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.294 2.238 . . . . 73.53 110.924 -152.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -140.53 68.66 1.35 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.837 -1.171 . . . . 75.24 107.837 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -154.56 110.75 3.23 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.099 1.76 . . . . 60.23 107.132 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -127.54 128.73 46.13 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.371 1.068 . . . . 64.33 108.362 -172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.8 ptm -73.82 175.57 7.14 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.054 0.93 . . . . 75.25 111.31 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -65.41 -178.12 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.818 1.247 . . . . 75.31 109.97 163.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -120.88 174.09 6.82 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.762 -1.212 . . . . 75.11 109.901 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.4 -52.54 9.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.29 1.436 . . . . 61.15 109.07 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.28 -57.65 11.97 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 124.512 1.133 . . . . 61.15 108.705 -173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.66 -52.36 31.48 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 123.311 0.644 . . . . 64.11 111.252 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -34.72 76.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 119.303 0.956 . . . . 74.41 111.116 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -63.96 -57.03 10.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 116.854 -1.546 . . . . 55.32 110.461 168.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.98 -40.76 70.4 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 125.418 1.487 . . . . 75.42 110.889 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.29 -53.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.22 1.008 . . . . 73.44 108.77 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -68.87 -27.59 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 121.515 -0.741 . . . . 74.35 110.026 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.05 -51.46 69.6 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.449 -1.407 . . . . 73.44 108.685 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.17 17.95 2.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.105 2.562 . . . . 72.23 113.155 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -121.64 -38.4 2.76 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.085 -1.009 . . . . 60.32 110.092 161.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -86.73 -22.6 25.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.869 -1.144 . . . . 74.25 113.654 -168.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.6 p -64.75 -11.45 36.52 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.433 1.015 . . . . 71.44 110.8 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.27 -6.54 48.57 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.839 -1.163 . . . . 75.12 111.01 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.0 mtt -129.9 -9.8 4.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.407 1.883 . . . . 75.15 112.391 -165.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.25 -174.43 44.3 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 119.235 0.925 . . . . 72.23 112.469 166.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.3 100.71 13.0 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.295 -1.002 . . . . 64.14 108.295 170.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.6 141.16 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.14 -1.43 . . . . 55.11 107.14 167.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.59 -70.33 0.71 Allowed 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.021 -1.474 . . . . 75.11 107.021 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 m -107.57 95.11 5.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.906 -1.516 . . . . 63.31 106.906 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -86.31 123.61 31.76 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 106.133 -1.803 . . . . 73.21 106.133 165.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.55 154.2 31.36 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 122.639 1.209 . . . . 73.03 109.184 167.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 34' ' ' VAL 0.37 0.8 OUTLIER -88.4 123.1 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 127.243 2.217 . . . . 62.14 113.162 160.4 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.68 -17.4 41.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.986 -1.461 . . . . 74.41 110.465 164.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.96 97.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 119.54 1.064 . . . . 63.51 109.948 -169.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -86.17 137.5 32.6 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 126.361 1.865 . . . . 73.15 107.814 173.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.54 115.5 18.29 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.766 -0.827 . . . . 62.22 108.766 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.3 p -77.84 -4.26 45.67 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.352 0.978 . . . . 44.01 112.554 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -124.17 -19.19 5.65 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.766 1.226 . . . . 33.22 112.696 -167.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.6 mt -146.48 -175.88 4.96 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 127.254 2.222 . . . . 75.54 108.867 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -113.6 66.48 0.66 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.802 1.241 . . . . 75.41 108.938 -167.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -128.25 155.82 43.96 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.001 0.92 . . . . 60.54 110.868 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 HG11 ' A' ' 32' ' ' VAL . 1.6 tm? -143.15 119.5 10.9 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.906 1.282 . . . . 74.05 107.739 178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.1 t -130.31 148.87 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.728 0.811 . . . . 71.33 109.517 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.62 94.96 0.41 Allowed Glycine 0 C--N 1.336 0.561 0 C-N-CA 124.94 1.257 . . . . 54.35 110.718 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.7 136.87 5.94 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 124.525 1.059 . . . . 53.45 115.331 172.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -101.96 161.87 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.956 1.702 . . . . 72.31 110.382 -175.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -115.76 127.32 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.007 -2.219 . . . . 75.12 105.007 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -84.84 163.53 18.99 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.153 1.381 . . . . 75.04 110.5 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -72.63 -36.79 68.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.322 0.649 . . . . 75.35 110.73 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -90.19 31.92 0.96 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.826 1.251 . . . . 74.04 109.082 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.03 12.15 68.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 115.992 1.157 . . . . 61.42 115.992 155.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -101.39 101.79 12.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.827 1.313 . . . . 75.34 109.234 -167.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -84.84 116.0 23.06 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.356 -0.84 . . . . 63.44 109.49 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -125.61 134.15 52.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.649 1.579 . . . . 74.23 109.418 -170.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 p -64.92 168.34 6.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.007 1.276 . . . . 74.31 109.418 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.23 117.41 9.53 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.558 -2.016 . . . . 73.03 105.558 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.02 121.57 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 104.711 -2.329 . . . . 75.42 104.711 165.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -106.5 143.74 34.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.253 -1.388 . . . . 60.31 107.253 169.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -144.93 116.92 8.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.867 -1.531 . . . . 71.14 106.867 163.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 t30 69.85 -60.52 0.47 Allowed 'General case' 0 N--CA 1.46 0.058 0 C-N-CA 127.392 2.277 . . . . 74.25 113.902 165.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -157.99 5.79 0.13 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 128.467 2.707 . . . . 64.21 111.63 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -111.69 145.43 39.29 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.39 1.476 . . . . 53.55 109.901 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -139.1 123.52 18.27 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.401 2.28 . . . . 71.44 108.304 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.48 151.08 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.622 0.646 . . . . 74.32 110.444 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -163.74 157.71 19.41 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 128.198 2.599 . . . . 75.41 108.522 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -142.16 -86.2 0.16 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 116.694 -1.622 . . . . 55.53 111.285 150.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -155.5 153.36 30.14 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 121.123 1.783 . . . . 63.14 111.078 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.67 37.71 0.54 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.605 1.562 . . . . 74.32 111.519 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.17 121.43 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 107.244 -1.391 . . . . 54.14 107.244 166.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.406 1.482 . . . . 72.41 108.431 169.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 108.874 -1.69 . . . . 34.13 108.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.56 -168.68 1.9 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 125.224 1.41 . . . . 75.54 109.25 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 72.35 101.46 0.07 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.461 2.304 . . . . 72.3 109.446 -167.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.5 6.47 0.74 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 114.188 1.181 . . . . 75.53 114.188 173.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -125.64 90.78 3.27 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.268 1.427 . . . . 61.12 110.07 -167.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.19 160.91 14.11 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.138 -0.69 . . . . 63.31 109.138 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.71 162.29 17.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.132 1.373 . . . . 74.5 109.348 170.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -73.19 173.79 8.94 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.766 0.826 . . . . 74.51 110.483 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.1 p -135.29 168.24 19.54 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.5 1.12 . . . . 74.21 109.903 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.57 83.65 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.961 0.905 . . . . 70.1 108.635 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.06 -55.07 36.89 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.224 -0.893 . . . . 54.0 111.02 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.43 -59.01 5.26 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.089 1.355 . . . . 71.33 109.094 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.1 -42.39 94.58 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.169 -0.678 . . . . 61.12 109.169 -168.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m -70.08 -40.01 75.24 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.135 -0.936 . . . . 63.4 112.12 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.19 -51.82 67.81 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.711 1.142 . . . . 45.1 109.362 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.18 -46.55 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.308 1.043 . . . . 72.51 110.958 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -77.34 -33.8 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 121.618 -0.677 . . . . 70.44 110.624 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -67.67 -49.31 63.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 120.731 -1.231 . . . . 73.23 110.15 174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.05 -17.69 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.117 1.767 . . . . 72.42 111.544 -168.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -93.48 -27.33 16.74 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.764 0.653 . . . . 73.3 112.764 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -103.22 -20.02 14.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.774 0.83 . . . . 74.32 111.439 -168.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -57.54 -23.66 51.71 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.621 -1.299 . . . . 73.13 112.255 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -88.8 -20.39 24.77 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.5 1.52 . . . . 60.42 110.746 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 59.8 mtm -95.81 6.19 49.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.305 1.042 . . . . 63.2 112.404 -166.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.45 -149.05 20.3 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 119.142 0.883 . . . . 54.3 111.475 167.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.14 86.17 2.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.674 1.59 . . . . 63.32 108.714 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -67.19 114.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.7 -1.963 . . . . 73.53 105.7 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.74 -42.09 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.437 -0.579 . . . . 73.13 109.437 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.1 m -134.86 104.09 5.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.173 -1.047 . . . . 70.12 108.173 -171.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -98.94 120.9 40.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.85 -1.907 . . . . 74.52 105.85 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.29 168.74 24.41 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.948 0.899 . . . . 74.41 108.736 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 34' ' ' VAL . 60.4 t -107.96 150.58 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.457 -2.423 . . . . 72.11 104.457 166.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -112.69 -6.05 13.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.698 -0.801 . . . . 72.44 112.76 163.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.652 ' H ' HG12 ' A' ' 32' ' ' VAL . 61.1 t -144.94 101.15 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 107.211 -1.403 . . . . 72.33 107.211 -167.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 37' ' ' SER . 6.2 t80 -100.11 95.55 6.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.336 -0.987 . . . . 73.42 108.336 175.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.78 133.53 36.32 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 118.94 -1.104 . . . . 70.13 108.504 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 p -131.09 2.2 4.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.149 1.38 . . . . 73.23 112.164 -176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -110.29 -1.64 17.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.281 1.832 . . . . 74.32 109.451 163.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.4 mt -142.36 -172.3 3.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.897 2.079 . . . . 72.32 105.515 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -130.27 92.58 3.3 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 101.696 -3.446 . . . . 72.44 101.696 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 t -139.36 150.21 45.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.309 -0.997 . . . . 72.11 108.309 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 HG22 ' A' ' 32' ' ' VAL . 1.3 tm? -141.94 127.7 19.25 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.543 -1.651 . . . . 71.32 106.543 173.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -139.11 166.06 22.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 107.842 -1.17 . . . . 65.32 107.842 165.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.32 -8.71 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 117.468 -1.74 . . . . 34.14 113.121 145.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 55' ' ' THR . . . 84.36 153.1 17.01 Favored Glycine 0 C--N 1.345 1.068 0 C-N-CA 118.643 -1.742 . . . . 62.42 111.256 -162.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -140.76 118.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 107.155 -1.424 . . . . 71.35 107.155 173.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.78 127.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 105.729 -1.952 . . . . 70.24 105.729 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.89 157.39 23.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.098 -0.704 . . . . 43.01 109.098 165.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.03 56.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.027 0.931 . . . . 71.44 112.299 171.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.04 10.75 40.81 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.061 1.344 . . . . 63.45 111.905 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.61 -4.93 76.56 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.593 1.092 . . . . 72.52 113.585 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -77.06 81.18 3.58 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.845 1.658 . . . . 75.23 107.74 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -87.19 124.13 32.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.851 -1.907 . . . . 73.45 105.851 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -123.1 147.15 47.07 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 107.277 -1.379 . . . . 74.42 107.277 172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.533 ' HA ' ' HA2' ' A' ' 45' ' ' GLY 0.344 12.8 t -105.81 99.53 9.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.779 -0.823 . . . . 55.33 108.779 177.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -75.5 131.06 39.84 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.68 -1.145 . . . . 75.53 109.789 172.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.41 113.68 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.607 -1.627 . . . . 74.22 106.607 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -93.56 129.25 39.86 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.778 -0.823 . . . . 74.5 108.778 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.23 101.93 6.96 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.268 1.027 . . . . 74.13 109.977 171.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.623 HD22 ' HG3' ' A' ' 61' ' ' GLU . 1.3 t30 58.29 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 128.164 2.586 . . . . 71.52 114.022 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.623 ' HG3' HD22 ' A' ' 60' ' ' ASN . 22.4 mt-10 -135.24 -7.09 2.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.907 1.283 . . . . 71.44 111.503 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 130.94 38.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.316 1.446 . . . . 75.51 107.281 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.31 97.88 6.0 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.916 -1.512 . . . . 74.11 106.916 178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.0 t -87.9 160.57 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 123.535 0.734 . . . . 52.25 109.17 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.83 157.88 43.47 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.779 1.632 . . . . 64.52 110.84 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -155.21 159.05 39.8 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.899 2.479 . . . . 73.25 104.88 167.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.06 143.75 30.38 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.205 1.802 . . . . 71.12 108.161 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.95 76.62 9.37 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.04 -1.038 . . . . 74.53 109.513 -166.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HA ' HD22 ' A' ' 70' ' ' LEU . 5.2 t -84.6 80.57 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 O-C-N 121.789 -0.569 . . . . 64.32 110.342 -174.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 69' ' ' VAL . 1.6 mm? . . . . . 0 C--O 1.246 0.909 0 C-N-CA 129.296 3.038 . . . . 62.14 113.006 156.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 106.347 -2.701 . . . . 52.12 106.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 140.72 53.03 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.984 -1.858 . . . . 74.14 105.984 133.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -142.64 97.67 3.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 118.886 0.766 . . . . 74.35 110.515 -165.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -130.87 18.16 5.11 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.394 1.878 . . . . 73.11 110.371 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -69.85 97.97 1.18 Allowed 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.657 1.183 . . . . 74.33 110.623 -166.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.44 163.23 24.53 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.382 1.073 . . . . 64.11 109.091 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 ptm -135.9 177.57 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.178 1.391 . . . . 74.05 111.13 -170.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.63 159.71 18.37 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.554 0.742 . . . . 73.03 109.793 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -89.38 175.35 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.074 0.55 . . . . 74.15 111.773 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -57.9 -44.7 86.95 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.431 1.092 . . . . 73.14 108.679 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.41 -56.62 18.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.791 1.236 . . . . 73.03 108.947 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.52 -43.53 89.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.932 0.493 . . . . 70.03 111.768 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -59.48 -40.69 87.81 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.966 -1.084 . . . . 71.14 110.146 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 m -68.38 -41.83 79.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.546 0.739 . . . . 74.35 110.345 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.87 -43.53 98.29 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.045 2.138 . . . . 61.41 111.994 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.67 -54.73 31.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.157 -1.053 . . . . 74.35 108.157 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.03 -43.04 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.363 1.065 . . . . 74.43 110.325 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -65.35 -56.34 13.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.655 -0.688 . . . . 71.45 110.438 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.44 -27.44 48.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.545 1.138 . . . . 70.25 111.54 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.74 -41.47 68.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 113.035 0.754 . . . . 70.32 113.035 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -93.89 -19.13 21.25 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.761 0.709 . . . . 74.45 112.657 -173.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.7 m -57.87 -15.88 10.0 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.358 0.981 . . . . 65.43 113.586 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -21.1 48.15 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.758 -1.213 . . . . 71.31 112.394 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -106.59 10.0 31.26 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.191 0.996 . . . . 62.32 112.727 -168.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.29 -158.35 23.34 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 123.956 0.788 . . . . 50.24 111.546 172.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 110.61 22.73 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.458 1.123 . . . . 71.03 108.479 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -61.69 135.65 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 106.456 -1.683 . . . . 73.42 106.456 165.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.93 -49.99 8.46 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 125.253 1.421 . . . . 74.03 110.207 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -135.83 123.58 22.47 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.221 -1.4 . . . . 74.41 107.221 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.01 118.12 33.93 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 105.874 -1.899 . . . . 73.31 105.874 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.35 145.19 27.99 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 124.587 2.137 . . . . 75.04 109.96 163.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 34' ' ' VAL 0.253 1.1 p -67.82 142.12 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 CA-C-N 112.381 -2.191 . . . . 70.43 113.484 144.044 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.264 1.4 pt20 -117.98 5.6 12.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 113.267 -1.788 . . . . 75.21 112.393 159.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 ' H ' HG23 ' A' ' 32' ' ' VAL . 20.2 t -138.12 45.11 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 121.856 0.836 . . . . 73.22 111.084 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -67.54 133.02 48.69 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 119.615 -1.928 . . . . 71.12 108.455 -175.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -103.94 109.4 21.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.385 0.612 . . . . 75.11 109.603 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 p -71.3 4.0 3.23 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.592 0.96 . . . . 55.35 113.592 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 m -131.43 -10.37 3.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.585 1.554 . . . . 62.33 113.207 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -141.14 161.94 36.68 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.563 1.074 . . . . 73.15 108.923 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -89.6 67.48 7.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.024 -1.472 . . . . 63.22 107.024 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -118.9 140.25 50.3 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.263 1.025 . . . . 71.35 108.823 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -146.71 114.9 6.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.317 0.386 . . . . 55.24 112.033 175.225 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 57' ' ' VAL . 46.3 t -137.82 158.85 33.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 126.818 2.047 . . . . 62.34 109.033 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.14 26.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.122 1.82 . . . . 75.02 112.966 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.1 -166.93 49.64 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 119.651 1.725 . . . . 64.04 111.978 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 21' ' ' PHE . 2.0 p -165.21 130.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.086 1.754 . . . . 63.13 106.84 170.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.92 118.02 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 105.273 -2.121 . . . . 65.12 105.273 -166.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -92.9 159.71 15.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.946 1.298 . . . . 63.11 112.381 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.81 -39.16 73.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.267 1.827 . . . . 70.14 110.603 172.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -3.47 44.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.262 1.825 . . . . 70.02 112.216 -173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.24 70.61 1.2 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.088 -1.205 . . . . 75.45 110.088 -172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -138.48 90.74 2.49 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 105.976 -1.861 . . . . 71.23 105.976 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.11 118.82 36.71 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.475 -0.935 . . . . 74.23 108.475 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -123.9 133.95 53.64 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.457 1.103 . . . . 71.45 108.729 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -73.49 87.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.375 1.87 . . . . 60.32 107.831 171.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -69.38 138.6 53.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.922 0.889 . . . . 64.01 109.121 171.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 2.7 p -143.7 114.94 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.258 -1.015 . . . . 74.33 108.258 171.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -92.81 133.49 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.273 1.429 . . . . 71.21 108.598 167.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.15 100.34 3.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.915 1.286 . . . . 60.34 108.625 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.62 -54.67 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 130.915 3.686 . . . . 72.22 115.467 -175.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -149.58 -23.47 0.28 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.902 2.081 . . . . 63.25 110.8 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.8 93.75 2.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.265 -2.124 . . . . 63.03 105.265 173.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' CE2' ' A' ' 56' ' ' PHE . 24.8 tp -83.9 116.61 22.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.578 -1.638 . . . . 75.25 106.578 156.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.51 164.53 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.946 1.698 . . . . 60.32 107.832 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -138.01 165.82 25.62 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.322 -0.992 . . . . 74.31 108.322 159.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.38 176.2 9.19 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 107.004 -1.48 . . . . 72.31 107.004 144.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.95 146.62 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.676 1.19 . . . . 75.15 109.237 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.3 77.47 8.95 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.894 -1.15 . . . . 73.43 107.894 177.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.1 112.26 12.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 106.698 -1.593 . . . . 74.34 106.698 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.252 1.21 0 N-CA-C 106.729 -1.582 . . . . 74.13 106.729 165.725 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' HA2' ' OD2' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 109.371 -1.491 . . . . 74.3 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.0 t70 60.97 71.4 0.56 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 123.811 1.767 . . . . 60.44 107.484 -161.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HA2' ' A' ' 1' ' ' GLY . 1.8 p30 -136.63 24.07 3.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.921 1.689 . . . . 74.03 111.47 -156.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -144.81 3.33 1.08 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.786 1.234 . . . . 75.42 111.13 -163.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -119.58 87.08 2.67 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 124.869 1.268 . . . . 64.04 109.517 -164.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.14 150.49 45.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.371 -0.974 . . . . 72.23 108.371 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 mmm -86.25 165.16 16.7 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.273 1.429 . . . . 71.13 109.749 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -58.4 139.82 54.78 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.552 -0.906 . . . . 72.0 108.552 168.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 p -75.65 169.72 17.56 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 121.392 -0.817 . . . . 75.04 108.86 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.86 -36.45 83.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.713 -0.847 . . . . 75.41 108.713 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.81 -49.44 76.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.81 1.244 . . . . 74.11 109.667 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.64 -52.64 63.51 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 118.834 0.743 . . . . 54.52 109.574 -175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 42' ' ' LEU . 57.3 mt -52.8 -50.62 63.27 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 108.618 -0.882 . . . . 72.34 108.618 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -57.67 -48.16 80.3 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.714 -0.616 . . . . 74.21 111.926 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.0 -41.93 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.951 1.7 . . . . 72.24 111.156 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.46 -59.92 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 107.884 -1.154 . . . . 74.43 107.884 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.95 -29.45 47.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 123.998 0.919 . . . . 74.43 111.058 -172.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.42 -62.18 2.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.155 -0.965 . . . . 54.23 109.654 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.05 -26.54 64.69 Favored 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.579 1.174 . . . . 73.33 111.89 -174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -38.06 89.69 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.861 -0.525 . . . . 74.1 111.35 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.36 -16.53 19.27 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 115.521 1.675 . . . . 64.32 115.521 -171.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -20.24 52.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 121.061 1.755 . . . . 62.02 111.881 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.42 -0.16 3.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.733 2.013 . . . . 72.33 112.807 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mtt -138.19 9.16 2.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.093 1.757 . . . . 72.42 113.136 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.78 -158.94 24.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.196 0.907 . . . . 71.32 111.26 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -116.28 123.92 48.89 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 123.76 1.743 . . . . 71.3 111.055 -172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 21' ' ' PHE . 2.5 mp -84.9 121.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 C-N-CA 126.218 1.807 . . . . 74.11 109.085 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.59 -60.99 2.15 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.479 1.112 . . . . 75.31 109.985 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -130.91 93.61 3.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.225 -1.398 . . . . 55.24 107.225 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.86 125.36 35.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.146 -1.798 . . . . 75.42 106.146 170.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 175.61 11.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.929 -1.508 . . . . 60.21 106.929 167.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 34' ' ' VAL . 27.3 t -123.54 131.91 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.735 -2.321 . . . . 52.42 104.735 175.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.99 -9.22 54.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 118.983 -0.532 . . . . 73.23 111.397 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -164.1 96.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.501 -1.666 . . . . 72.12 106.501 -170.511 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -87.63 120.55 29.06 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.335 1.454 . . . . 73.24 107.1 173.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.4 94.54 7.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.688 -1.205 . . . . 74.4 108.247 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 76.2 p -63.98 -0.0 1.01 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.492 1.917 . . . . 75.02 114.099 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -119.61 -7.82 10.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.888 0.875 . . . . 74.43 112.392 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.9 mt -145.11 -167.61 2.72 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.178 0.991 . . . . 54.54 108.964 -171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -116.92 78.73 1.24 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.557 -2.386 . . . . 63.21 104.557 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -139.96 131.33 26.81 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.045 -1.465 . . . . 63.2 107.045 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' LEU . 9.1 tt -135.08 118.89 17.22 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.971 -1.492 . . . . 74.32 106.971 -175.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 34' ' ' VAL . 71.4 t -135.52 148.94 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.611 -0.885 . . . . 63.11 108.611 173.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.49 17.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.209 -1.329 . . . . 74.42 115.779 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA2' ' H ' ' A' ' 56' ' ' PHE . . . 68.12 -170.85 36.86 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 119.934 1.867 . . . . 74.1 114.562 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.14 132.08 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.784 -1.562 . . . . 55.32 106.784 168.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -115.87 99.81 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.721 2.008 . . . . 72.4 107.858 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -82.11 160.09 23.22 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.236 -0.915 . . . . 73.01 111.118 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -53.5 -43.08 67.97 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.085 0.954 . . . . 64.41 110.942 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 0.31 20.1 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.384 1.074 . . . . 71.32 113.174 -166.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.4 1.89 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 126.89 2.186 . . . . 75.1 110.246 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -128.44 99.87 5.57 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.053 -1.462 . . . . 74.23 107.053 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -98.39 153.9 18.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.53 0.681 . . . . 64.24 110.302 170.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -154.13 178.97 9.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.004 1.721 . . . . 75.43 109.528 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.2 p -125.82 93.55 3.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.553 1.141 . . . . 72.43 110.07 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' H ' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -70.89 136.32 48.55 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.639 -0.663 . . . . 75.23 109.735 174.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 43' ' ' VAL . 24.8 t -136.66 108.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 124.394 1.059 . . . . 75.24 108.575 169.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -103.93 102.47 12.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.707 0.803 . . . . 74.21 109.309 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.41 99.11 11.68 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.88 -63.08 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 128.255 2.622 . . . . 64.0 114.768 178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -140.53 0.83 1.69 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.932 1.693 . . . . 72.23 113.278 -173.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.99 118.53 27.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.217 1.372 . . . . 73.2 109.583 -175.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 119.2 37.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.813 1.245 . . . . 75.22 110.919 -164.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.68 158.72 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 120.871 -1.143 . . . . 53.41 110.323 -170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -166.7 174.85 8.33 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.325 1.85 . . . . 55.11 109.086 166.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.54 -76.17 0.37 Allowed 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 117.261 -1.352 . . . . 61.24 111.151 164.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 176.94 145.45 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 129.331 3.052 . . . . 72.2 109.039 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.57 123.08 47.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.378 1.471 . . . . 61.44 107.306 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.66 103.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 106.587 -1.635 . . . . 64.1 106.587 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.441 -1.266 . . . . 75.44 108.144 179.135 . . . . . . . . 0 0 . 1 stop_ save_