data_2a0a_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 2a0a _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 49' ' ' TYR . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.9 pt . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 128' ' ' TYR 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB3' ' HG ' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.433 ' HG ' ' HB3' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 10' ' ' LEU . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 97' ' ' PHE . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.426 ' HB3' ' H ' ' A' ' 81' ' ' LYS . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.272 8.4 pt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 128' ' ' TYR . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 58.55 1.6 Allowed 'General case' 0 CA--C 1.556 1.189 0 O-C-N 119.614 -1.929 . . . . 0.0 114.063 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 52.39 29.12 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.858 1.663 . . . . 0.0 113.65 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt -65.95 -12.23 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.713 1.205 . . . . 0.0 113.508 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.29 85.81 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.187 -1.571 . . . . 0.0 113.489 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 38.17 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.839 1.656 . . . . 0.0 111.13 170.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt 42.77 35.03 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 126.119 1.767 . . . . 0.0 113.278 -165.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 49' ' ' TYR . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.3 52.68 2.43 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.927 -1.733 . . . . 0.0 112.82 -174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m 51.75 37.7 21.05 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.289 1.435 . . . . 0.0 114.283 -172.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt -73.99 -3.86 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.552 1.541 . . . . 0.0 113.096 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.68 27.74 9.11 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -158.83 -45.48 0.06 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.737 1.215 . . . . 0.0 112.229 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.9 pt -65.39 -8.98 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.049 1.739 . . . . 0.0 114.286 169.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.66 -50.04 72.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.662 -1.274 . . . . 0.0 113.113 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -162.09 32.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.271 1.429 . . . . 0.0 112.474 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt -104.33 9.08 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.213 1.805 . . . . 0.0 113.078 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.32 49.63 1.79 Allowed 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.18 -1.575 . . . . 0.0 113.356 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m 56.1 41.21 29.85 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.162 1.385 . . . . 0.0 113.741 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt -120.61 -5.39 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.449 1.499 . . . . 0.0 113.45 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 128' ' ' TYR 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB3' ' HG ' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' HG ' ' HB3' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 10' ' ' LEU . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 41.19 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 128.179 2.592 . . . . 0.0 116.399 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -156.14 -40.85 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.889 2.075 . . . . 0.0 111.262 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -81.93 -2.07 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.123 1.769 . . . . 0.0 112.783 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 97' ' ' PHE . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.426 ' HB3' ' H ' ' A' ' 81' ' ' LYS . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.34 44.4 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 117.53 2.419 . . . . 0.0 117.53 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -167.81 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 128.007 2.523 . . . . 0.0 111.73 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.272 8.4 pt 44.3 30.24 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.594 2.358 . . . . 0.0 114.214 -174.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 117.293 -1.337 . . . . 0.0 113.104 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.1 44.2 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.994 2.118 . . . . 0.0 115.424 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.6 -25.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.615 2.366 . . . . 0.0 111.879 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt 35.94 35.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 128.228 2.611 . . . . 0.0 115.111 -172.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttp . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.01 39.62 3.91 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.045 1.338 . . . . 0.0 111.686 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 58.59 24.51 12.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.564 1.545 . . . . 0.0 114.191 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt -104.05 20.66 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.655 1.982 . . . . 0.0 112.237 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 128' ' ' TYR . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.621 HD13 ' HD2' ' A' ' 126' ' ' ARG . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' THR . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HG3' HG12 ' A' ' 102' ' ' VAL . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 96' ' ' GLN . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.621 ' HD2' HD13 ' A' ' 10' ' ' LEU . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 12' ' ' LYS . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 124' ' ' SER . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 56' ' ' THR . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 10' ' ' LEU . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.491 HD11 ' CZ ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.462 ' HA ' HG11 ' A' ' 25' ' ' VAL . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' HB ' ' A' ' 56' ' ' THR . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.608 HG21 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 84' ' ' ILE . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' HB3' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE2' ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' A' ' 20' ' ' LEU . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.68 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.68 ' H ' HD21 ' A' ' 66' ' ' LEU . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 128' ' ' TYR . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.453 ' CG2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.495 HG13 HD13 ' A' ' 44' ' ' ILE . 42.9 pt . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 44' ' ' ILE . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 4' ' ' ILE . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' HD21 ' A' ' 66' ' ' LEU . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 113' ' ' VAL . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' HG2' HG13 ' A' ' 122' ' ' VAL . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 104' ' ' ILE . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 37' ' ' LYS . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 35' ' ' THR . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 86' ' ' LYS . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' H ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 113' ' ' VAL . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 108' ' ' PHE . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 18' ' ' GLU . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 10' ' ' LEU 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.454 ' HB3' HD21 ' A' ' 10' ' ' LEU . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 25' ' ' VAL . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 37' ' ' LYS . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' H ' HG23 ' A' ' 35' ' ' THR . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.444 HG23 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' ALA . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 113' ' ' VAL . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.495 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 57' ' ' PHE . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 84' ' ' ILE . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.612 ' HE ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.612 HD11 ' HE ' ' A' ' 52' ' ' ARG . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.42 ' HA ' HG11 ' A' ' 25' ' ' VAL . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' HG12 ' A' ' 25' ' ' VAL . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 51' ' ' PHE . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.667 HH22 HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.414 ' SG ' ' HB ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.414 ' HB ' ' SG ' ' A' ' 119' ' ' CYS . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 92' ' ' PHE 0.272 8.4 pt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 122' ' ' VAL . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 38' ' ' PRO . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 4' ' ' ILE . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 119' ' ' CYS . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 102' ' ' VAL . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 113' ' ' VAL . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 18' ' ' GLU . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 29' ' ' VAL . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 25' ' ' VAL . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 44' ' ' ILE . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 43' ' ' ALA . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HD3' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 HG12 ' A' ' 105' ' ' ILE . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.491 HG12 HG12 ' A' ' 93' ' ' VAL . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 113' ' ' VAL . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 108' ' ' PHE . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 42' ' ' VAL . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 36' ' ' LEU . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 39' ' ' THR . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 113' ' ' VAL . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 58.55 1.6 Allowed 'General case' 0 CA--C 1.556 1.189 0 O-C-N 119.614 -1.929 . . . . 0.0 114.063 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 52.39 29.12 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.858 1.663 . . . . 0.0 113.65 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt -65.95 -12.23 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.713 1.205 . . . . 0.0 113.508 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD13 ' HD2' ' A' ' 126' ' ' ARG . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' THR . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HG3' HG12 ' A' ' 102' ' ' VAL . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 96' ' ' GLN . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.621 ' HD2' HD13 ' A' ' 10' ' ' LEU . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 12' ' ' LYS . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.29 85.81 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.187 -1.571 . . . . 0.0 113.489 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 38.17 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.839 1.656 . . . . 0.0 111.13 170.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt 42.77 35.03 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 126.119 1.767 . . . . 0.0 113.278 -165.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 124' ' ' SER . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 56' ' ' THR . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 10' ' ' LEU . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 HD11 ' CZ ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.462 ' HA ' HG11 ' A' ' 25' ' ' VAL . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' HB ' ' A' ' 56' ' ' THR . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.608 HG21 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 84' ' ' ILE . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' HB3' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.3 52.68 2.43 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.927 -1.733 . . . . 0.0 112.82 -174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m 51.75 37.7 21.05 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.289 1.435 . . . . 0.0 114.283 -172.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt -73.99 -3.86 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.552 1.541 . . . . 0.0 113.096 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE2' ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' A' ' 20' ' ' LEU . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.68 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.68 ' H ' HD21 ' A' ' 66' ' ' LEU . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 128' ' ' TYR . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.453 ' CG2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.68 27.74 9.11 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -158.83 -45.48 0.06 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.737 1.215 . . . . 0.0 112.229 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.495 HG13 HD13 ' A' ' 44' ' ' ILE . 42.9 pt -65.39 -8.98 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.049 1.739 . . . . 0.0 114.286 169.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 44' ' ' ILE . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 4' ' ' ILE . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' HD21 ' A' ' 66' ' ' LEU . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 113' ' ' VAL . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.66 -50.04 72.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.662 -1.274 . . . . 0.0 113.113 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -162.09 32.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.271 1.429 . . . . 0.0 112.474 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt -104.33 9.08 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.213 1.805 . . . . 0.0 113.078 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' HG2' HG13 ' A' ' 122' ' ' VAL . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 104' ' ' ILE . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 37' ' ' LYS . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 35' ' ' THR . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 86' ' ' LYS . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' H ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 113' ' ' VAL . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 108' ' ' PHE . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 18' ' ' GLU . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.32 49.63 1.79 Allowed 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.18 -1.575 . . . . 0.0 113.356 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m 56.1 41.21 29.85 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.162 1.385 . . . . 0.0 113.741 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt -120.61 -5.39 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.449 1.499 . . . . 0.0 113.45 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 10' ' ' LEU 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.454 ' HB3' HD21 ' A' ' 10' ' ' LEU . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 25' ' ' VAL . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 37' ' ' LYS . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' H ' HG23 ' A' ' 35' ' ' THR . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.444 HG23 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' ALA . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 113' ' ' VAL . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.495 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 41.19 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 128.179 2.592 . . . . 0.0 116.399 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -156.14 -40.85 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.889 2.075 . . . . 0.0 111.262 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -81.93 -2.07 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.123 1.769 . . . . 0.0 112.783 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 57' ' ' PHE . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 84' ' ' ILE . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.612 ' HE ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.612 HD11 ' HE ' ' A' ' 52' ' ' ARG . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' HA ' HG11 ' A' ' 25' ' ' VAL . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' HG12 ' A' ' 25' ' ' VAL . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 51' ' ' PHE . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.667 HH22 HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.414 ' SG ' ' HB ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.414 ' HB ' ' SG ' ' A' ' 119' ' ' CYS . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.34 44.4 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 117.53 2.419 . . . . 0.0 117.53 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -167.81 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 128.007 2.523 . . . . 0.0 111.73 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 92' ' ' PHE 0.272 8.4 pt 44.3 30.24 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.594 2.358 . . . . 0.0 114.214 -174.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 122' ' ' VAL . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 38' ' ' PRO . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 4' ' ' ILE . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 119' ' ' CYS . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 102' ' ' VAL . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 113' ' ' VAL . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 18' ' ' GLU . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 117.293 -1.337 . . . . 0.0 113.104 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.1 44.2 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.994 2.118 . . . . 0.0 115.424 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.6 -25.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.615 2.366 . . . . 0.0 111.879 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt 35.94 35.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 128.228 2.611 . . . . 0.0 115.111 -172.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 29' ' ' VAL . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 25' ' ' VAL . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 44' ' ' ILE . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 43' ' ' ALA . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HD3' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 HG12 ' A' ' 105' ' ' ILE . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.491 HG12 HG12 ' A' ' 93' ' ' VAL . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 113' ' ' VAL . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 108' ' ' PHE . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttp . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.01 39.62 3.91 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.045 1.338 . . . . 0.0 111.686 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 58.59 24.51 12.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.564 1.545 . . . . 0.0 114.191 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt -104.05 20.66 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.655 1.982 . . . . 0.0 112.237 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 42' ' ' VAL . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 36' ' ' LEU . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 39' ' ' THR . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 113' ' ' VAL . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.621 HD13 ' HD2' ' A' ' 126' ' ' ARG . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' THR . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HG3' HG12 ' A' ' 102' ' ' VAL . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 96' ' ' GLN . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.621 ' HD2' HD13 ' A' ' 10' ' ' LEU . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 12' ' ' LYS . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 124' ' ' SER . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 56' ' ' THR . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 10' ' ' LEU . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.491 HD11 ' CZ ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.462 ' HA ' HG11 ' A' ' 25' ' ' VAL . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' HB ' ' A' ' 56' ' ' THR . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.608 HG21 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 84' ' ' ILE . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.531 ' HB3' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE2' ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' A' ' 20' ' ' LEU . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.68 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.68 ' H ' HD21 ' A' ' 66' ' ' LEU . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 128' ' ' TYR . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.453 ' CG2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.495 HG13 HD13 ' A' ' 44' ' ' ILE . 42.9 pt . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 44' ' ' ILE . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 4' ' ' ILE . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' HD21 ' A' ' 66' ' ' LEU . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 113' ' ' VAL . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' HG2' HG13 ' A' ' 122' ' ' VAL . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 104' ' ' ILE . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 37' ' ' LYS . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 35' ' ' THR . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 86' ' ' LYS . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' H ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 113' ' ' VAL . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 108' ' ' PHE . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 18' ' ' GLU . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 10' ' ' LEU 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.454 ' HB3' HD21 ' A' ' 10' ' ' LEU . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 25' ' ' VAL . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 37' ' ' LYS . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' H ' HG23 ' A' ' 35' ' ' THR . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.444 HG23 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' ALA . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 113' ' ' VAL . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.495 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 57' ' ' PHE . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 84' ' ' ILE . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.612 ' HE ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.612 HD11 ' HE ' ' A' ' 52' ' ' ARG . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.42 ' HA ' HG11 ' A' ' 25' ' ' VAL . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' HG12 ' A' ' 25' ' ' VAL . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 51' ' ' PHE . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.667 HH22 HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.414 ' SG ' ' HB ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.414 ' HB ' ' SG ' ' A' ' 119' ' ' CYS . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 92' ' ' PHE 0.272 8.4 pt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 122' ' ' VAL . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 38' ' ' PRO . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 4' ' ' ILE . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 119' ' ' CYS . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 102' ' ' VAL . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 113' ' ' VAL . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 18' ' ' GLU . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 29' ' ' VAL . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 25' ' ' VAL . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 44' ' ' ILE . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 43' ' ' ALA . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HD3' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 HG12 ' A' ' 105' ' ' ILE . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.491 HG12 HG12 ' A' ' 93' ' ' VAL . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 113' ' ' VAL . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 108' ' ' PHE . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 42' ' ' VAL . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 36' ' ' LEU . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 39' ' ' THR . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 113' ' ' VAL . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.18 58.55 1.6 Allowed 'General case' 0 CA--C 1.556 1.189 0 O-C-N 119.614 -1.929 . . . . 0.0 114.063 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 52.39 29.12 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.858 1.663 . . . . 0.0 113.65 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.3 pt -65.95 -12.23 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.713 1.205 . . . . 0.0 113.508 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.7 162.25 29.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.721 1.209 . . . . 0.0 113.474 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.34 -178.93 21.2 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 125.227 1.394 . . . . 0.0 112.165 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.71 134.71 52.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.211 1.405 . . . . 0.0 109.398 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p90 -143.1 142.31 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.999 -0.438 . . . . 0.0 112.084 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 150.13 42.8 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.833 0.453 . . . . 0.0 111.189 -173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD13 ' HD2' ' A' ' 126' ' ' ARG . 14.4 tp -52.29 127.22 21.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.769 1.227 . . . . 0.0 111.479 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 47.44 1.25 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.674 0.789 . . . . 0.0 112.549 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -154.08 -57.48 0.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 m 58.9 64.71 1.36 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.516 1.926 . . . . 0.0 113.063 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.22 125.85 30.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.98 1.712 . . . . 0.0 109.717 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 13.16 1.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 127.292 2.237 . . . . 0.0 115.357 -170.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -52.43 -48.96 65.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 111.91 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.97 -30.8 68.2 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 120.655 1.571 . . . . 0.0 113.157 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.47 -47.76 16.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.142 0.977 . . . . 0.0 111.594 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.49 -39.85 94.8 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.411 -1.431 . . . . 0.0 114.378 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.64 -25.48 64.72 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.785 1.234 . . . . 0.0 112.973 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.4 -28.93 60.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.961 1.304 . . . . 0.0 111.982 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -32.06 12.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.618 1.967 . . . . 0.0 112.5 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.48 -27.82 68.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.88 1.272 . . . . 0.0 113.066 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.62 53.32 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 125.208 1.385 . . . . 0.0 114.84 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -85.16 173.82 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.124 1.77 . . . . 0.0 112.269 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.99 -143.79 5.75 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 125.543 1.544 . . . . 0.0 112.472 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -47.42 -33.9 6.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.644 1.177 . . . . 0.0 112.99 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.28 -23.52 64.2 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 58.8 t -105.17 -25.2 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.555 169.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -39.05 73.34 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 120.132 1.333 . . . . 0.0 112.878 167.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -79.09 -34.34 43.62 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.428 1.091 . . . . 0.0 112.995 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.33 -31.14 70.01 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 120.878 -1.139 . . . . 0.0 112.052 170.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.94 67.64 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -66.57 -1.8 4.06 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 119.189 -2.194 . . . . 0.0 114.199 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -147.08 -152.21 0.42 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.728 2.411 . . . . 0.0 109.617 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 24.32 7.26 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.02 2.128 . . . . 0.0 112.511 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -50.08 -44.17 78.95 Favored Pre-proline 0 N--CA 1.484 1.243 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 42.8 Cg_endo -82.18 124.06 4.19 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.808 2.338 . . . . 0.0 106.503 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -141.22 166.8 23.79 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 125.918 1.687 . . . . 0.0 109.593 -175.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 2.4 m-85 -142.68 154.18 44.09 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -124.25 131.78 53.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 118.8 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.87 98.72 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.299 1.04 . . . . 0.0 109.139 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.63 91.53 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.85 156.1 21.45 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.834 0.853 . . . . 0.0 110.239 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.52 40.49 0.13 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.563 1.545 . . . . 0.0 114.674 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.09 -48.35 0.1 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.027 2.131 . . . . 0.0 111.327 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -149.85 165.12 33.5 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.043 1.737 . . . . 0.0 110.984 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -94.59 133.98 37.65 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.376 1.07 . . . . 0.0 110.075 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.69 107.92 24.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -99.07 83.01 2.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.756 2.423 . . . . 0.0 109.234 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 117.32 17.87 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.009 -1.057 . . . . 0.0 108.817 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -103.73 127.22 51.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.28 1.032 . . . . 0.0 109.077 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' THR . 3.7 mp -122.11 12.69 10.37 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.108 1.363 . . . . 0.0 111.264 173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -95.56 -142.27 0.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 128.311 2.645 . . . . 0.0 109.69 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p 54.42 25.21 5.85 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.296 2.238 . . . . 0.0 115.977 163.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 t80 49.26 24.76 1.06 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.34 1.856 . . . . 0.0 113.52 -168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -164.34 108.37 0.95 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.788 -1.82 . . . . 0.0 111.426 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -70.59 134.1 47.32 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.735 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -172.26 155.51 3.6 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.362 2.265 . . . . 0.0 110.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 144.17 32.26 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.212 -1.555 . . . . 0.0 111.679 171.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.01 140.16 51.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.65 1.58 . . . . 0.0 109.566 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -133.1 121.23 22.34 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.411 0.685 . . . . 0.0 109.643 -173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -152.48 168.68 24.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.332 1.053 . . . . 0.0 111.992 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -81.85 179.2 7.91 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.461 1.104 . . . . 0.0 111.514 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.49 123.5 34.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.572 1.149 . . . . 0.0 109.692 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 13.69 80.18 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 124.643 1.116 . . . . 0.0 114.775 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.23 158.52 8.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.81 1.644 . . . . 0.0 111.678 168.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.6 108.35 4.01 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.469 -0.769 . . . . 0.0 110.35 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.79 171.7 14.01 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.852 1.661 . . . . 0.0 111.497 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -138.88 101.04 4.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.388 1.475 . . . . 0.0 107.513 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.42 161.43 36.36 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.804 1.241 . . . . 0.0 112.221 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -61.3 127.75 33.04 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.958 0.885 . . . . 0.0 112.344 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.92 179.03 9.6 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.483 1.913 . . . . 0.0 109.389 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.41 -152.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.479 1.112 . . . . 0.0 112.663 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -47.98 -31.82 5.76 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.367 1.867 . . . . 0.0 114.33 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.6 48.57 0.02 OUTLIER Glycine 0 N--CA 1.47 0.916 0 C-N-CA 123.88 0.753 . . . . 0.0 112.176 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.09 127.85 45.32 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.161 1.384 . . . . 0.0 110.035 -171.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.89 109.74 22.44 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.58 1.152 . . . . 0.0 108.989 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.0 158.92 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 109.704 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -55.84 154.39 7.23 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.584 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -152.41 125.1 8.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.734 1.614 . . . . 0.0 107.197 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.28 120.97 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.824 1.65 . . . . 0.0 107.23 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mm -121.55 120.3 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.195 1.398 . . . . 0.0 107.742 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -137.48 117.81 13.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 122.688 1.232 . . . . 0.0 110.579 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 118.62 12.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.215 1.006 . . . . 0.0 109.54 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.36 110.82 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.942 1.297 . . . . 0.0 109.697 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.58 -89.27 0.93 Allowed Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.722 1.153 . . . . 0.0 112.714 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -170.48 25.19 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.492 1.917 . . . . 0.0 113.067 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.19 -39.61 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.435 -1.416 . . . . 0.0 113.438 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -88.44 146.89 24.96 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 123.854 0.862 . . . . 0.0 109.673 168.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.34 133.18 47.3 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 126.451 1.9 . . . . 0.0 106.006 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.77 139.35 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.58 140.01 29.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.466 0.706 . . . . 0.0 111.709 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -126.79 139.29 53.22 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HG3' HG12 ' A' ' 102' ' ' VAL . 8.2 pt20 -138.51 150.16 46.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.559 0.344 . . . . 0.0 110.859 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.31 -22.2 66.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 117.835 -1.079 . . . . 0.0 112.299 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 31.33 -98.61 0.01 OUTLIER Glycine 0 N--CA 1.486 2.02 0 C-N-CA 127.985 2.707 . . . . 0.0 113.793 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.47 -22.18 13.06 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 167.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -45.29 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.28 1.432 . . . . 0.0 114.214 170.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 167.98 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.003 2.521 . . . . 0.0 109.644 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 96' ' ' GLN . 1.7 p -85.27 149.1 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.46 -0.775 . . . . 0.0 109.502 171.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 116.68 21.74 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.89 140.6 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.8 mt -124.52 141.55 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 126.796 2.038 . . . . 0.0 106.834 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -139.98 123.82 17.47 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 126.697 1.999 . . . . 0.0 108.246 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.87 117.29 23.03 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.906 1.23 . . . . 0.0 111.122 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -67.91 84.15 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.457 2.703 . . . . 0.0 114.142 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -59.77 -32.28 70.44 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.94 -42.38 1.29 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.376 1.465 . . . . 0.0 113.499 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.15 -17.5 13.85 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.971 1.309 . . . . 0.0 112.163 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.44 172.71 14.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.917 2.487 . . . . 0.0 110.279 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 36.8 t -131.83 123.38 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 126.035 1.734 . . . . 0.0 109.674 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.5 117.49 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.571 0.623 . . . . 0.0 110.684 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 t -92.73 140.72 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.56 0.744 . . . . 0.0 110.289 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -137.88 95.3 3.02 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.089 2.156 . . . . 0.0 107.013 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.03 145.1 25.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.599 -0.688 . . . . 0.0 110.607 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.8 p -155.48 127.16 7.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.566 1.147 . . . . 0.0 111.073 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.8 -157.36 0.64 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.583 1.953 . . . . 0.0 109.9 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.27 -42.82 15.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.575 2.35 . . . . 0.0 113.889 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.99 32.69 0.27 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.998 1.285 . . . . 0.0 113.447 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.96 115.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.059 1.744 . . . . 0.0 108.374 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.1 m -119.41 141.84 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.936 0.894 . . . . 0.0 109.289 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.13 156.74 48.25 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.535 1.134 . . . . 0.0 110.562 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.69 119.75 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.58 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.621 ' HD2' HD13 ' A' ' 10' ' ' LEU . 29.7 ptt180 -140.74 139.81 34.72 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.53 173.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 12' ' ' LYS . 30.7 m -90.99 126.9 36.22 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 168.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -91.66 123.63 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.86 1.264 . . . . 0.0 109.712 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -80.14 111.95 16.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.029 0.931 . . . . 0.0 109.353 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -90.68 141.84 28.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.734 1.213 . . . . 0.0 112.279 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 127.473 2.309 . . . . 0.0 112.51 -173.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.29 85.81 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.187 -1.571 . . . . 0.0 113.489 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.36 38.17 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.839 1.656 . . . . 0.0 111.13 170.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.262 25.4 pt 42.77 35.03 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 126.119 1.767 . . . . 0.0 113.278 -165.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.04 161.71 17.37 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.486 1.915 . . . . 0.0 113.024 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.88 -169.92 22.31 Favored Glycine 0 N--CA 1.472 1.045 0 C-N-CA 125.385 1.469 . . . . 0.0 112.228 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -98.13 134.61 40.96 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.323 1.049 . . . . 0.0 110.183 171.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -128.17 111.47 13.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.916 1.286 . . . . 0.0 110.388 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.37 137.17 39.15 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.371 1.068 . . . . 0.0 111.013 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -55.91 129.51 39.93 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.669 0.747 . . . . 0.0 110.672 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.99 174.25 10.7 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 128.362 2.665 . . . . 0.0 109.438 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.06 -41.94 0.36 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.626 2.37 . . . . 0.0 115.982 -171.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p 38.2 77.04 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.616 2.366 . . . . 0.0 114.969 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.61 136.54 46.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.419 1.488 . . . . 0.0 111.946 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 56.21 7.86 0.35 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.271 2.228 . . . . 0.0 114.983 -171.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -51.69 -44.04 62.98 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.204 1.402 . . . . 0.0 112.717 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.1 -24.11 67.57 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.538 -1.351 . . . . 0.0 112.755 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -84.24 -45.01 13.33 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.248 1.419 . . . . 0.0 111.528 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 124' ' ' SER . 3.3 t80 -66.26 -40.05 89.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.705 -1.247 . . . . 0.0 114.296 177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.36 -24.4 67.83 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.793 -1.192 . . . . 0.0 112.255 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.69 -22.55 57.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.29 1.436 . . . . 0.0 112.803 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.0 -30.58 8.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.967 2.107 . . . . 0.0 112.548 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 tp -64.04 -31.3 72.44 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.318 0.963 . . . . 0.0 111.939 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.66 -7.84 42.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.306 1.431 . . . . 0.0 114.2 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 56' ' ' THR . 28.8 m -81.34 -171.56 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.936 2.094 . . . . 0.0 111.361 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.23 -144.58 3.95 Favored Glycine 0 N--CA 1.467 0.713 0 C-N-CA 124.464 1.03 . . . . 0.0 112.516 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.61 -37.21 38.96 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.59 1.156 . . . . 0.0 113.347 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.2 14.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.1 t -102.46 -32.91 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.196 0.999 . . . . 0.0 111.217 174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -46.0 86.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.993 -1.067 . . . . 0.0 112.48 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.2 p -72.96 -33.39 65.85 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 110.826 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.61 -24.38 67.57 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.839 0.856 . . . . 0.0 112.756 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.56 62.5 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.913 1.285 . . . . 0.0 114.041 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.02 -18.76 61.94 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.436 1.017 . . . . 0.0 113.172 167.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -125.92 -155.43 0.68 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.79 1.636 . . . . 0.0 108.931 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -129.28 30.24 5.02 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.185 1.794 . . . . 0.0 111.252 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -46.77 99.79 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 125.791 1.636 . . . . 0.0 113.912 170.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 10' ' ' LEU . 57.8 Cg_endo -85.66 118.53 1.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.283 2.655 . . . . 0.0 110.297 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -131.9 166.36 21.81 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.077 0.951 . . . . 0.0 109.835 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -134.47 127.19 30.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 124.686 1.195 . . . . 0.0 109.276 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.38 102.9 13.28 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 t -89.66 120.61 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.66 97.83 5.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.84 1.256 . . . . 0.0 108.935 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 HD11 ' CZ ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -93.61 102.91 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.591 1.156 . . . . 0.0 108.487 -176.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -101.26 79.14 1.96 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.474 1.509 . . . . 0.0 109.033 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 61.24 -62.6 0.08 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.47 2.708 . . . . 0.0 114.759 -171.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -132.94 -27.36 1.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.966 2.106 . . . . 0.0 111.756 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.44 136.71 56.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.738 0.815 . . . . 0.0 110.405 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.0 75.59 1.23 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.82 1.648 . . . . 0.0 108.284 -173.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.76 99.42 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -100.43 75.91 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.825 2.05 . . . . 0.0 109.793 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 119.91 13.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.854 0.862 . . . . 0.0 109.284 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.2 t -102.38 101.99 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.716 1.207 . . . . 0.0 108.08 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -91.54 30.51 1.31 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 111.024 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -116.42 -136.99 0.36 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.597 1.959 . . . . 0.0 108.977 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.462 ' HA ' HG11 ' A' ' 25' ' ' VAL . 53.5 p 48.92 41.21 18.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.53 160.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 62.0 -39.84 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.758 2.823 . . . . 0.0 115.153 -165.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.65 134.85 41.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.871 1.668 . . . . 0.0 112.069 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -61.98 147.05 48.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.483 0.658 . . . . 0.0 112.715 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.7 t -158.18 122.44 4.15 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.379 1.472 . . . . 0.0 110.614 -176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -77.87 136.98 38.13 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 120.912 -1.118 . . . . 0.0 111.585 167.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.0 147.74 44.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.966 1.307 . . . . 0.0 109.191 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -131.86 116.56 17.36 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.677 1.191 . . . . 0.0 110.15 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -137.39 -170.76 2.81 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.923 1.289 . . . . 0.0 110.338 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -120.98 -120.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.879 1.672 . . . . 0.0 108.519 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.21 132.22 44.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.832 1.653 . . . . 0.0 107.261 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 9.18 32.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.492 1.52 . . . . 0.0 114.533 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.61 126.72 28.75 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.373 1.469 . . . . 0.0 110.425 175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -124.12 117.7 25.24 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.458 0.703 . . . . 0.0 110.364 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -145.46 176.95 9.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.692 1.197 . . . . 0.0 111.471 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -144.6 126.98 15.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.751 1.22 . . . . 0.0 109.13 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.97 149.58 29.06 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.075 1.35 . . . . 0.0 111.74 -172.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -90.98 114.36 26.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.83 0.852 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -150.26 -80.65 0.12 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.025 1.33 . . . . 0.0 113.99 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' HB ' ' A' ' 56' ' ' THR . . . -53.42 138.3 33.61 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 126.402 1.881 . . . . 0.0 111.344 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 44.89 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.27 34.98 54.44 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 120.046 -1.659 . . . . 0.0 113.825 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 166.64 10.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.881 2.073 . . . . 0.0 111.437 174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -126.94 123.65 37.68 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.641 1.976 . . . . 0.0 110.654 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -147.7 164.79 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.571 1.548 . . . . 0.0 110.469 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.0 154.43 4.14 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.407 0.683 . . . . 0.0 111.297 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -151.84 119.71 6.18 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 126.293 1.837 . . . . 0.0 107.97 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.98 131.42 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.672 1.189 . . . . 0.0 110.18 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.608 HG21 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.07 137.6 48.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 O-C-N 123.559 0.537 . . . . 0.0 111.268 -176.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -133.68 119.73 19.73 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.46 1.104 . . . . 0.0 112.094 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -73.49 112.13 9.27 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.641 1.976 . . . . 0.0 110.895 172.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -96.17 111.06 23.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.464 1.506 . . . . 0.0 109.135 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.91 37.64 53.41 Favored Glycine 0 CA--C 1.542 1.773 0 C-N-CA 126.256 1.884 . . . . 0.0 115.472 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.282 4.2 p-10 46.08 44.06 11.39 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.633 1.573 . . . . 0.0 113.864 -175.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.98 -45.78 0.13 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.88 146.83 28.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.726 1.61 . . . . 0.0 110.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 84' ' ' ILE . 1.8 t80 -139.19 92.26 2.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.091 1.356 . . . . 0.0 109.601 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.44 107.06 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.531 ' HB3' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -97.19 137.51 36.11 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.894 1.278 . . . . 0.0 110.54 170.115 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -129.15 134.45 48.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.045 0.938 . . . . 0.0 108.62 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -140.27 144.08 36.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.253 1.021 . . . . 0.0 110.64 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -79.64 28.29 0.27 Allowed 'General case' 0 CA--C 1.553 1.089 0 O-C-N 120.949 -1.094 . . . . 0.0 112.278 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -30.42 -55.97 0.24 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 128.84 3.115 . . . . 0.0 114.802 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.48 -33.51 1.09 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.402 1.481 . . . . 0.0 112.179 165.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 -50.34 0.49 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.24 1.416 . . . . 0.0 113.606 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 171.28 79.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.958 2.903 . . . . 0.0 108.346 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.79 133.51 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.788 -1.195 . . . . 0.0 108.983 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -126.2 109.59 12.5 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.139 0.976 . . . . 0.0 110.012 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.83 137.66 30.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 C-N-CA 125.444 1.498 . . . . 0.0 108.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.46 113.57 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.247 1.419 . . . . 0.0 107.837 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.86 115.49 30.18 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.989 1.716 . . . . 0.0 109.362 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -121.99 128.05 51.01 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.015 1.279 . . . . 0.0 112.92 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.17 100.98 1.76 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.527 1.931 . . . . 0.0 112.369 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.15 -43.2 53.8 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.625 -1.297 . . . . 0.0 113.134 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.95 -51.8 0.37 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.073 0.844 . . . . 0.0 113.554 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.1 -6.39 10.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.125 1.77 . . . . 0.0 112.152 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -148.13 173.97 12.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 110.057 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.71 137.95 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.89 1.676 . . . . 0.0 109.006 173.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.55 127.95 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.515 0.726 . . . . 0.0 110.031 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.37 130.92 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 109.129 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 m -129.6 95.0 3.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.763 1.625 . . . . 0.0 107.918 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.21 145.48 35.51 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.359 0.664 . . . . 0.0 110.54 171.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 p -160.67 109.64 1.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.222 1.809 . . . . 0.0 110.439 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.45 -163.7 0.97 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.827 -1.171 . . . . 0.0 111.604 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -25.06 -49.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.583 2.753 . . . . 0.0 115.642 167.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.12 27.1 0.17 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.684 1.135 . . . . 0.0 114.452 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -127.4 119.2 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.049 1.74 . . . . 0.0 108.394 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 99.0 m -121.44 138.24 54.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.932 1.293 . . . . 0.0 108.832 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -135.15 161.07 36.38 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.929 1.292 . . . . 0.0 111.548 -175.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.3 p -148.61 118.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 122.47 1.129 . . . . 0.0 110.031 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -137.49 153.13 50.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.032 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -101.69 156.49 17.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.72 110.09 16.86 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.873 1.269 . . . . 0.0 109.047 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -70.87 100.91 2.02 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.197 0.999 . . . . 0.0 110.64 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.17 116.42 15.88 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.034 1.733 . . . . 0.0 110.825 174.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 126.177 1.791 . . . . 0.0 111.92 177.332 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.3 52.68 2.43 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.927 -1.733 . . . . 0.0 112.82 -174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m 51.75 37.7 21.05 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.289 1.435 . . . . 0.0 114.283 -172.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.2 pt -73.99 -3.86 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.552 1.541 . . . . 0.0 113.096 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -73.42 152.78 40.67 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.303 0.956 . . . . 0.0 112.72 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.97 -176.86 25.62 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.227 0.917 . . . . 0.0 114.005 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -98.16 141.74 30.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.181 1.392 . . . . 0.0 110.532 169.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -140.06 112.05 7.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.762 1.225 . . . . 0.0 110.411 -174.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HE2' ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -100.77 141.29 33.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.153 0.981 . . . . 0.0 112.218 -174.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.63 114.43 1.14 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.493 1.517 . . . . 0.0 113.381 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.94 172.44 7.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 126.886 2.074 . . . . 0.0 111.142 173.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.36 -43.29 0.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.459 2.304 . . . . 0.0 115.351 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m 39.51 74.72 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 127.121 2.169 . . . . 0.0 113.534 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -137.56 137.57 38.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.15 0.98 . . . . 0.0 111.156 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt 57.14 9.65 0.71 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -171.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -53.86 -49.65 68.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.645 1.178 . . . . 0.0 111.904 174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.5 -28.13 65.1 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.067 1.303 . . . . 0.0 113.753 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -78.6 -46.83 18.44 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.22 1.008 . . . . 0.0 111.364 173.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -69.18 -33.47 73.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -61.55 -27.97 69.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.771 -1.206 . . . . 0.0 112.1 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -48.24 -37.19 15.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.73 1.212 . . . . 0.0 112.233 167.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -88.04 -40.64 13.67 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.839 2.056 . . . . 0.0 111.59 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.46 -29.6 70.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.223 1.009 . . . . 0.0 113.228 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 -31.73 5.63 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 126.765 2.126 . . . . 0.0 113.395 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' A' ' 20' ' ' LEU . 2.2 m -63.91 178.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.568 2.347 . . . . 0.0 113.351 168.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.38 -96.1 0.11 Allowed Glycine 0 N--CA 1.464 0.541 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 169.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -56.42 -38.74 71.97 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.599 0.699 . . . . 0.0 112.664 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.55 -34.1 74.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 73.1 t -96.2 -26.75 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.705 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.92 91.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.427 1.467 . . . . 0.0 112.702 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.6 p -72.35 -31.13 65.36 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.837 0.744 . . . . 0.0 112.308 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.18 -25.24 62.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 175.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.0 66.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.447 1.899 . . . . 0.0 114.148 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -74.05 -12.43 60.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.479 1.911 . . . . 0.0 114.18 168.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -132.64 -159.3 0.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.973 2.109 . . . . 0.0 109.441 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 mt -121.39 25.03 9.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.16 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -49.25 93.51 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.527 1.531 . . . . 0.0 114.416 175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 67.6 Cg_endo -81.72 101.88 1.22 Allowed 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.373 2.049 . . . . 0.0 108.344 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -126.1 161.06 28.49 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.159 1.384 . . . . 0.0 109.795 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -126.43 151.22 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 124.598 1.159 . . . . 0.0 108.372 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -122.81 126.87 48.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.21 125.53 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.652 -1.611 . . . . 0.0 106.652 176.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.74 134.68 47.76 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 109.834 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -121.99 97.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 125.214 1.406 . . . . 0.0 108.413 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -81.21 34.22 0.36 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.844 1.258 . . . . 0.0 111.946 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 t30 54.16 17.7 1.54 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.231 2.212 . . . . 0.0 114.636 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -173.28 -56.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.076 2.15 . . . . 0.0 110.074 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -78.35 147.34 34.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.774 0.83 . . . . 0.0 111.33 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.64 121.19 36.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 125.03 1.332 . . . . 0.0 109.28 -175.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.58 105.55 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.88 72.2 1.33 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.912 2.085 . . . . 0.0 109.783 -173.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 131.84 42.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.946 1.298 . . . . 0.0 109.921 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -126.92 108.15 10.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.103 1.361 . . . . 0.0 108.814 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 16.22 23.33 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.53 1.132 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.1 p -104.09 -130.73 0.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.191 1.797 . . . . 0.0 110.765 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.7 p 41.46 42.16 1.81 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.396 2.278 . . . . 0.0 114.788 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 60.95 -34.39 0.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 128.194 2.598 . . . . 0.0 115.184 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -137.84 123.31 19.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 127.07 2.148 . . . . 0.0 110.076 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.1 143.46 22.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.598 1.159 . . . . 0.0 113.823 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -156.24 139.02 15.19 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.811 1.644 . . . . 0.0 111.046 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.59 144.54 30.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.72 0.808 . . . . 0.0 111.513 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.68 21.68 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.155 1.382 . . . . 0.0 109.139 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -147.24 115.63 6.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.445 0.698 . . . . 0.0 112.634 -168.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -151.78 -174.57 4.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.762 1.225 . . . . 0.0 112.202 -164.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 178.45 7.97 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.423 1.489 . . . . 0.0 112.609 168.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.68 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -85.61 131.02 34.43 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.363 1.065 . . . . 0.0 110.994 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.15 17.69 74.15 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.306 0.479 . . . . 0.0 113.384 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -53.86 145.76 15.46 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 111.049 170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.19 120.89 11.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 119.657 1.117 . . . . 0.0 111.489 174.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -148.87 177.5 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.216 1.406 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -142.49 123.52 14.49 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.98 1.312 . . . . 0.0 109.428 170.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -145.16 150.36 36.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.475 1.11 . . . . 0.0 112.28 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -74.75 99.44 3.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.951 1.3 . . . . 0.0 111.527 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.57 -161.32 1.3 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.584 1.953 . . . . 0.0 110.842 -172.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.96 -129.95 1.92 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.999 1.32 . . . . 0.0 112.288 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.51 31.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.12 1.768 . . . . 0.0 115.64 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.56 42.49 55.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 120.785 -1.197 . . . . 0.0 111.875 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 156.0 44.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.989 1.716 . . . . 0.0 111.991 -174.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -128.69 100.05 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.105 1.362 . . . . 0.0 111.393 -170.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.25 159.49 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.348 1.459 . . . . 0.0 110.173 -173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -50.92 146.43 6.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.236 0.614 . . . . 0.0 110.501 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -136.1 123.33 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.494 1.518 . . . . 0.0 107.273 171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.73 127.88 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.548 1.139 . . . . 0.0 110.308 174.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mm -127.8 135.2 63.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 125.066 1.347 . . . . 0.0 109.747 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -142.37 114.87 8.47 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.929 1.292 . . . . 0.0 112.084 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.68 ' H ' HD21 ' A' ' 66' ' ' LEU . 3.4 ttpm? -70.3 105.32 2.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.276 1.43 . . . . 0.0 109.68 169.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -68.74 103.36 1.73 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.827 0.822 . . . . 0.0 109.955 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.64 -103.1 1.13 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.902 1.239 . . . . 0.0 112.63 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -157.62 24.44 0.28 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.066 1.346 . . . . 0.0 112.959 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.78 -22.31 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.313 1.445 . . . . 0.0 113.937 -173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.8 148.92 39.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.219 1.408 . . . . 0.0 109.063 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.17 134.85 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.37 139.71 48.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 124.234 1.013 . . . . 0.0 109.053 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.69 137.92 48.48 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -128.04 135.41 49.83 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -138.28 151.7 47.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.613 0.765 . . . . 0.0 111.786 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -83.37 26.63 0.64 Allowed 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.234 -0.916 . . . . 0.0 112.085 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.56 -52.62 0.6 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 128.085 2.755 . . . . 0.0 114.874 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.03 -30.44 2.21 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.439 1.495 . . . . 0.0 112.605 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.16 -43.56 0.08 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 176.5 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.174 2.19 . . . . 0.0 110.356 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.07 128.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.57 171.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -126.38 98.11 5.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 109.072 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.5 mp -94.39 131.36 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 124.751 1.22 . . . . 0.0 108.212 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.07 120.39 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.741 1.616 . . . . 0.0 107.114 173.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.84 145.26 42.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.096 0.958 . . . . 0.0 111.583 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -141.06 129.13 22.02 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.729 0.695 . . . . 0.0 112.298 -174.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.19 107.71 4.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.997 1.719 . . . . 0.0 111.847 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -36.15 40.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.555 0.742 . . . . 0.0 112.588 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 149.86 -36.26 0.98 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.908 1.242 . . . . 0.0 114.229 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -123.58 -18.71 6.05 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.504 1.521 . . . . 0.0 111.687 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -147.65 170.68 17.0 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.881 2.472 . . . . 0.0 109.796 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 128' ' ' TYR . 40.3 t -132.45 136.3 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.55 1.54 . . . . 0.0 107.992 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.54 147.83 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.64 -0.662 . . . . 0.0 110.048 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.03 107.14 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.339 1.856 . . . . 0.0 109.025 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -105.21 96.19 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.488 1.515 . . . . 0.0 107.397 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.39 151.87 32.57 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 120.621 -1.3 . . . . 0.0 109.916 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.4 p -150.93 116.39 5.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.691 1.196 . . . . 0.0 110.233 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.6 t -141.39 116.49 9.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.809 1.244 . . . . 0.0 110.279 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.1 t0 51.61 29.1 5.23 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.34 -12.1 56.18 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.359 1.457 . . . . 0.0 115.306 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 t -70.72 107.03 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.678 1.239 . . . . 0.0 109.048 166.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -107.43 137.84 44.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.838 1.255 . . . . 0.0 109.586 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -113.12 152.07 30.06 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.231 1.013 . . . . 0.0 110.644 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.1 m -134.23 98.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 122.97 1.367 . . . . 0.0 109.583 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -124.0 157.03 35.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.698 1.199 . . . . 0.0 108.651 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.3 m -113.83 168.88 9.41 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 108.115 171.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -138.43 104.43 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.392 1.477 . . . . 0.0 108.668 -175.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -72.79 103.1 3.56 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.774 0.83 . . . . 0.0 110.111 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -71.04 125.67 27.51 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.101 1.36 . . . . 0.0 110.944 173.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.453 ' CG2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.926 0.891 . . . . 0.0 112.257 176.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.68 27.74 9.11 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -158.83 -45.48 0.06 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.737 1.215 . . . . 0.0 112.229 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.495 HG13 HD13 ' A' ' 44' ' ' ILE . 42.9 pt -65.39 -8.98 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.049 1.739 . . . . 0.0 114.286 169.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -90.28 155.33 19.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.148 1.379 . . . . 0.0 112.43 176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.29 174.5 16.61 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.777 1.179 . . . . 0.0 112.215 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.52 146.47 23.77 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.541 173.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -149.43 124.78 10.22 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.866 0.841 . . . . 0.0 112.564 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -100.65 162.29 13.02 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.094 1.758 . . . . 0.0 111.046 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 137.04 9.89 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.008 1.723 . . . . 0.0 113.986 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.52 43.74 1.1 Allowed 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.927 -1.108 . . . . 0.0 112.258 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -68.09 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.499 1.12 . . . . 0.0 111.541 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t 51.92 85.7 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.493 1.517 . . . . 0.0 113.166 -167.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.11 27.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.669 1.587 . . . . 0.0 109.629 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 50.18 12.02 0.08 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -171.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -55.86 -42.28 75.64 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.658 1.183 . . . . 0.0 111.952 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -64.88 -26.85 68.5 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.615 1.098 . . . . 0.0 112.538 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.52 -44.49 17.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.352 1.061 . . . . 0.0 112.063 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.96 -40.72 97.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.16 0.984 . . . . 0.0 112.894 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.47 -18.73 65.53 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.813 -1.179 . . . . 0.0 112.849 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' HE3' ' A' ' 22' ' ' LYS . 23.1 t70 -60.5 -18.98 55.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.047 0.939 . . . . 0.0 113.111 165.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -111.04 -24.01 10.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.192 2.197 . . . . 0.0 113.355 -179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -74.98 -34.31 61.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.032 1.333 . . . . 0.0 112.07 169.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.2 86.54 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 125.026 1.298 . . . . 0.0 115.191 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.7 -64.72 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -167.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.24 163.22 9.63 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-O 122.212 0.895 . . . . 0.0 114.546 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.78 -28.82 64.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.116 0.966 . . . . 0.0 112.813 -168.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -21.94 11.52 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.34 1.856 . . . . 0.0 113.846 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -111.15 -24.48 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 118.937 0.79 . . . . 0.0 113.08 175.48 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -58.77 -39.57 81.39 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.963 0.801 . . . . 0.0 111.062 167.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -74.27 -33.17 63.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.478 0.581 . . . . 0.0 112.096 172.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -62.28 -12.7 22.18 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 171.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.62 -31.71 66.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.769 0.828 . . . . 0.0 112.031 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -74.14 8.56 2.05 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -147.02 -163.59 1.8 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.102 1.761 . . . . 0.0 110.956 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.68 27.92 8.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.528 1.931 . . . . 0.0 111.386 -172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -52.44 71.33 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 125.901 1.68 . . . . 0.0 113.651 172.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.98 127.18 12.6 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 CA-C-N 121.009 1.396 . . . . 0.0 109.659 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -149.18 161.7 41.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.537 1.135 . . . . 0.0 110.433 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -144.82 160.13 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.465 1.506 . . . . 0.0 108.683 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.98 118.41 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 44' ' ' ILE . 22.2 t -91.5 132.2 36.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 168.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.95 139.91 46.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.689 1.195 . . . . 0.0 108.94 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 4' ' ' ILE . 4.7 mp -132.12 89.5 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.596 1.158 . . . . 0.0 107.934 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -79.09 161.9 26.21 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.77 44.5 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.329 1.451 . . . . 0.0 113.737 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -162.65 -44.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.392 2.277 . . . . 0.0 110.967 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.56 166.06 33.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.207 1.003 . . . . 0.0 113.3 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -80.52 164.24 23.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.656 0.741 . . . . 0.0 111.977 164.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.18 100.89 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.956 2.102 . . . . 0.0 106.687 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.12 87.28 7.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.405 1.082 . . . . 0.0 109.481 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 128.38 35.4 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.563 -1.336 . . . . 0.0 109.331 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t -122.43 123.05 40.41 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.779 1.631 . . . . 0.0 109.076 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.79 28.13 7.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.279 1.832 . . . . 0.0 109.685 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.8 t -105.68 -150.27 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.156 2.183 . . . . 0.0 108.511 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p 54.37 34.25 20.33 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.79 1.236 . . . . 0.0 113.431 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 t80 59.09 14.72 3.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.011 2.124 . . . . 0.0 113.94 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -165.1 2.17 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.21 -1.556 . . . . 0.0 112.016 -172.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -155.79 135.31 12.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.598 1.159 . . . . 0.0 111.671 171.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.4 t -171.9 157.15 4.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.107 1.363 . . . . 0.0 110.973 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.15 151.24 28.4 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.433 1.093 . . . . 0.0 112.547 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.46 71.68 1.45 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.178 1.391 . . . . 0.0 109.999 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -82.12 124.65 30.05 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.537 -0.727 . . . . 0.0 111.928 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -156.68 175.29 14.24 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.405 1.482 . . . . 0.0 111.352 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -92.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.16 1.784 . . . . 0.0 113.513 -171.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD21 ' H ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -172.02 123.41 0.51 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.181 1.793 . . . . 0.0 111.29 175.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.64 7.56 61.54 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 123.773 0.702 . . . . 0.0 114.353 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 156.06 29.2 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.773 1.229 . . . . 0.0 112.61 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 128.67 22.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.656 0.782 . . . . 0.0 110.961 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -140.85 173.46 11.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.49 1.916 . . . . 0.0 110.68 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.95 127.44 12.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.495 1.118 . . . . 0.0 110.842 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -167.03 157.89 11.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.691 1.196 . . . . 0.0 112.417 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.37 116.92 6.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.6 -172.3 4.15 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.638 1.975 . . . . 0.0 111.748 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.05 -136.64 1.26 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.73 1.212 . . . . 0.0 111.36 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -54.69 -22.06 12.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.584 1.554 . . . . 0.0 114.623 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.13 42.62 0.25 Allowed Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.317 1.437 . . . . 0.0 112.62 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 146.15 49.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.346 1.458 . . . . 0.0 111.513 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -123.9 91.44 3.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.511 1.524 . . . . 0.0 111.934 -168.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.36 167.25 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.061 1.344 . . . . 0.0 110.669 -170.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -53.18 151.8 4.83 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.788 0.435 . . . . 0.0 111.896 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -149.84 114.33 5.25 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 125.766 1.626 . . . . 0.0 107.79 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.9 122.94 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.906 1.682 . . . . 0.0 107.906 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.81 145.32 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.815 1.246 . . . . 0.0 109.321 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -154.11 150.65 28.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.155 0.982 . . . . 0.0 111.281 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' HD21 ' A' ' 66' ' ' LEU . 21.6 ttpt -114.63 105.42 13.05 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.274 2.229 . . . . 0.0 109.35 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.48 110.31 14.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.603 0.761 . . . . 0.0 109.775 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.62 39.58 8.14 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.429 1.49 . . . . 0.0 115.791 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.3 0.0 OUTLIER 44.1 52.09 7.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.659 1.584 . . . . 0.0 114.137 -176.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -151.01 -37.55 0.13 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 113.595 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -116.13 150.49 37.3 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.234 1.413 . . . . 0.0 110.599 -177.539 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 126.65 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.5 130.28 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.32 111.32 13.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.124 1.37 . . . . 0.0 109.512 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -106.96 138.22 43.54 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.066 0.946 . . . . 0.0 109.368 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -149.03 147.34 28.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.487 0.715 . . . . 0.0 111.651 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.0 24.34 0.32 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.937 1.295 . . . . 0.0 112.54 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.8 -54.99 0.5 Allowed Glycine 0 N--CA 1.478 1.452 0 C-N-CA 128.952 3.167 . . . . 0.0 114.693 -171.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.67 -30.08 1.29 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.957 165.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -58.6 0.52 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.103 1.361 . . . . 0.0 112.66 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 175.08 63.96 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.291 2.236 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.08 129.17 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 120.041 -1.662 . . . . 0.0 109.808 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 102.21 8.31 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.952 1.701 . . . . 0.0 108.5 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.55 108.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.03 129.67 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.909 1.283 . . . . 0.0 108.143 170.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.04 153.34 48.08 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.845 0.858 . . . . 0.0 112.434 174.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.13 134.53 31.39 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.324 0.649 . . . . 0.0 111.298 -176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 113' ' ' VAL . 83.3 t80 -80.99 114.32 19.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.433 1.093 . . . . 0.0 111.679 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.38 -41.14 28.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.84 -35.67 0.85 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.349 0.976 . . . . 0.0 113.772 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.11 -18.0 5.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.309 1.044 . . . . 0.0 113.294 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -147.52 171.45 15.53 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 127.687 2.395 . . . . 0.0 109.969 171.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.4 m -126.62 142.19 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.718 0.807 . . . . 0.0 110.008 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.06 135.33 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.732 0.813 . . . . 0.0 109.006 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 t -110.12 138.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 125.37 1.468 . . . . 0.0 109.091 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 m -131.24 103.72 6.64 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.816 2.446 . . . . 0.0 106.321 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.93 144.4 30.05 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 170.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 p -153.56 89.56 1.34 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.659 0.742 . . . . 0.0 112.294 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.52 -170.29 2.52 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.228 -0.92 . . . . 0.0 112.996 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -25.63 -44.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.946 2.498 . . . . 0.0 116.118 163.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -167.64 27.98 0.16 Allowed Glycine 0 N--CA 1.47 0.921 0 C-N-CA 124.661 1.124 . . . . 0.0 114.113 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.33 99.98 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.904 1.282 . . . . 0.0 108.816 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.4 m -96.71 127.12 42.39 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.859 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -131.22 165.14 24.02 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.481 1.112 . . . . 0.0 110.739 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.49 129.24 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 123.318 0.647 . . . . 0.0 109.843 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -153.99 120.65 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.715 1.206 . . . . 0.0 111.017 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.2 m -81.95 160.69 23.29 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.557 -0.715 . . . . 0.0 110.585 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.5 132.88 31.92 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.509 1.924 . . . . 0.0 109.98 -172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 104.5 17.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.067 1.347 . . . . 0.0 110.964 -175.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -71.79 124.06 23.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.763 0.825 . . . . 0.0 111.469 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.777 2.431 . . . . 0.0 109.923 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.66 -50.04 72.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.662 -1.274 . . . . 0.0 113.113 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -162.09 32.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.271 1.429 . . . . 0.0 112.474 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 pt -104.33 9.08 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.213 1.805 . . . . 0.0 113.078 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 153.43 31.5 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.016 1.326 . . . . 0.0 111.835 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.61 -161.73 28.23 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.634 1.111 . . . . 0.0 112.081 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 132.87 52.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.923 0.889 . . . . 0.0 109.698 173.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.99 138.03 46.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 109.438 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 144.78 50.95 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.601 0.76 . . . . 0.0 109.679 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.61 147.41 22.48 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 121.872 0.844 . . . . 0.0 109.862 173.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.29 165.24 33.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 127.595 2.358 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp 73.67 -47.26 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.355 1.862 . . . . 0.0 114.351 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.7 t 45.64 89.99 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.034 2.134 . . . . 0.0 114.163 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.82 24.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.538 1.135 . . . . 0.0 109.312 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 55.59 12.9 0.86 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 115.724 1.749 . . . . 0.0 115.724 -170.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.77 -49.31 62.89 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 123.758 0.823 . . . . 0.0 111.433 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.14 -30.15 67.94 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.037 1.29 . . . . 0.0 112.523 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' HG2' HG13 ' A' ' 122' ' ' VAL . 35.3 tt0 -81.89 -41.78 20.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.678 1.591 . . . . 0.0 112.293 173.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 104' ' ' ILE . 2.8 t80 -62.33 -41.04 98.23 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.16 1.346 . . . . 0.0 113.724 171.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.26 -26.08 67.52 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.126 -0.984 . . . . 0.0 113.086 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.34 -45.98 62.5 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.267 1.427 . . . . 0.0 110.842 166.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -19.7 30.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.444 2.297 . . . . 0.0 114.106 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.89 -41.5 62.06 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.011 1.278 . . . . 0.0 111.546 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.4 -13.6 25.6 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.062 1.315 . . . . 0.0 114.04 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.86 178.19 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.228 2.211 . . . . 0.0 112.529 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.17 -152.24 7.93 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.44 1.495 . . . . 0.0 112.589 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -51.9 -31.78 29.86 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.242 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -32.62 51.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.053 1.341 . . . . 0.0 114.402 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -97.65 -30.56 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.708 0.685 . . . . 0.0 111.149 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -36.44 76.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.2 0.909 . . . . 0.0 112.607 174.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -81.31 -33.09 32.8 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.495 1.118 . . . . 0.0 111.838 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.15 74.95 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.331 -0.855 . . . . 0.0 112.112 172.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.53 -33.23 67.86 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.199 1.4 . . . . 0.0 114.166 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -22.13 33.12 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.851 1.261 . . . . 0.0 113.598 172.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 37' ' ' LYS . 9.1 t -133.33 -141.51 0.2 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.705 2.002 . . . . 0.0 109.349 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.44 28.46 4.94 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.137 1.775 . . . . 0.0 112.739 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 35' ' ' THR . 42.4 mttt -51.23 -35.79 21.3 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 116.38 -1.772 . . . . 0.0 115.014 168.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -75.51 120.81 6.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.473 1.919 . . . . 0.0 111.15 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -123.82 137.8 54.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.356 1.462 . . . . 0.0 110.716 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -135.26 109.45 8.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.051 1.74 . . . . 0.0 108.646 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.47 115.41 17.21 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.04 126.42 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.15 139.94 45.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.165 0.986 . . . . 0.0 109.429 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.77 107.67 14.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.71 160.92 19.42 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 169.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.76 50.36 0.84 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.504 1.122 . . . . 0.0 112.883 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -174.62 -48.8 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 128.619 2.768 . . . . 0.0 110.673 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -146.54 159.11 43.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.087 1.755 . . . . 0.0 111.482 -168.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -91.38 161.73 14.88 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.393 0.677 . . . . 0.0 111.645 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -138.98 91.73 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 126.833 2.053 . . . . 0.0 108.221 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.02 92.38 4.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.091 1.756 . . . . 0.0 109.589 171.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.14 143.09 35.8 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.037 -1.04 . . . . 0.0 108.969 168.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.2 t -135.98 103.51 5.39 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.725 1.61 . . . . 0.0 108.129 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.54 27.42 2.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.465 1.106 . . . . 0.0 111.819 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -139.38 -128.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 110.083 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.271 82.2 p 45.12 54.84 6.74 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 126.229 1.812 . . . . 0.0 113.335 174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.6 t80 64.05 -37.48 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 129.096 2.958 . . . . 0.0 115.154 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -150.69 120.39 7.02 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.211 2.605 . . . . 0.0 109.043 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -52.65 147.35 8.73 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.021 1.328 . . . . 0.0 113.29 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.56 172.28 18.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.623 1.569 . . . . 0.0 112.555 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -121.31 145.67 47.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 111.748 163.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.29 132.74 43.29 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.592 1.557 . . . . 0.0 109.728 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -147.96 137.34 22.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.877 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.89 176.82 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.088 1.355 . . . . 0.0 111.553 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -61.83 137.99 58.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.571 1.148 . . . . 0.0 111.295 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 86' ' ' LYS . 1.2 tm? -58.75 104.69 0.24 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.413 1.485 . . . . 0.0 110.329 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.44 -9.41 62.73 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.217 1.389 . . . . 0.0 115.866 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -76.61 153.06 35.63 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.184 1.992 . . . . 0.0 111.745 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -131.92 134.26 45.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.673 1.189 . . . . 0.0 111.359 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -141.11 159.35 42.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.558 1.543 . . . . 0.0 111.218 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.81 115.29 11.88 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.104 1.362 . . . . 0.0 110.113 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -173.38 -179.93 2.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.692 1.997 . . . . 0.0 111.035 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -52.37 128.17 24.62 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.356 1.462 . . . . 0.0 113.792 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -145.6 -153.17 0.46 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.988 2.115 . . . . 0.0 111.165 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.98 159.95 0.37 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.614 1.966 . . . . 0.0 112.122 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.286 0.1 OUTLIER 50.05 12.72 0.09 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.58 14.62 14.95 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.592 -1.318 . . . . 0.0 114.969 -163.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 168.17 17.7 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.914 1.857 . . . . 0.0 112.355 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.58 95.75 2.92 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.26 1.424 . . . . 0.0 110.831 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -147.29 166.02 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.361 1.864 . . . . 0.0 110.549 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -53.65 156.66 2.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.274 0.63 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -157.61 119.21 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.11 1.364 . . . . 0.0 108.902 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.53 132.92 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.287 1.835 . . . . 0.0 107.831 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mm -121.01 138.04 52.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 172.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.12 131.98 24.34 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.511 1.124 . . . . 0.0 110.17 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' H ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.32 130.35 46.42 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 126.182 1.793 . . . . 0.0 109.113 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.07 126.63 51.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.954 2.102 . . . . 0.0 107.394 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.99 22.18 64.46 Favored Glycine 0 CA--C 1.545 1.909 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.283 4.3 p30 46.4 36.89 3.72 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.716 1.606 . . . . 0.0 114.454 -173.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -152.85 -30.29 0.14 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -105.07 103.81 13.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.713 1.605 . . . . 0.0 110.397 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -101.44 113.04 25.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.729 1.612 . . . . 0.0 109.346 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.9 t -97.06 133.07 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -118.91 127.19 53.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.883 2.473 . . . . 0.0 107.9 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.0 m -122.28 134.66 54.67 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -140.74 153.05 45.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.722 0.773 . . . . 0.0 112.843 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.16 22.49 0.8 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.132 1.373 . . . . 0.0 112.043 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -32.9 -49.73 0.42 Allowed Glycine 0 N--CA 1.477 1.37 0 C-N-CA 127.457 2.456 . . . . 0.0 114.111 -175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 -35.93 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.707 1.203 . . . . 0.0 113.071 161.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.58 -47.94 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 175.45 73.08 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.611 1.965 . . . . 0.0 110.003 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.09 139.8 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.02 -1.05 . . . . 0.0 108.486 169.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 104.67 10.32 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 127.195 2.198 . . . . 0.0 107.475 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mp -102.29 128.53 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 39.6 mt -118.79 137.04 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -128.81 116.7 19.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.367 1.467 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.96 121.7 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.72 0.808 . . . . 0.0 112.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 113' ' ' VAL . 53.9 t80 -68.35 122.39 18.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.922 1.289 . . . . 0.0 112.88 175.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -94.56 -46.76 6.83 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.953 1.301 . . . . 0.0 111.551 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 158.53 -51.3 0.4 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.205 0.907 . . . . 0.0 113.498 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.98 -24.41 14.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.077 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.33 179.66 6.52 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.048 2.139 . . . . 0.0 110.351 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 108' ' ' PHE . 8.9 t -131.79 142.54 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.65 2.38 . . . . 0.0 108.285 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.84 121.03 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.146 0.978 . . . . 0.0 110.168 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -97.0 140.0 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.006 0.922 . . . . 0.0 110.082 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 m -133.33 95.34 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.161 2.184 . . . . 0.0 107.193 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -84.53 146.04 27.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.018 -0.426 . . . . 0.0 110.084 168.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.9 p -152.7 138.7 18.16 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.908 1.683 . . . . 0.0 110.823 168.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.24 -158.73 0.92 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.65 1.98 . . . . 0.0 109.551 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.69 63.37 0.19 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.984 1.714 . . . . 0.0 114.137 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.36 24.28 29.28 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.07 1.319 . . . . 0.0 113.556 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 18' ' ' GLU . 18.8 t -132.19 104.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.569 1.948 . . . . 0.0 108.057 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.7 m -122.53 132.93 54.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.349 1.059 . . . . 0.0 108.569 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 1.2 t -132.57 150.89 52.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.542 1.137 . . . . 0.0 111.366 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.84 99.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.374 1.069 . . . . 0.0 108.513 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 153.7 46.96 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.871 1.268 . . . . 0.0 109.0 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 55.3 m -94.66 164.16 13.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.55 123.34 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.728 1.211 . . . . 0.0 109.036 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -86.36 115.43 23.88 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.408 . . . . 0.0 109.618 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.65 121.31 28.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.845 1.658 . . . . 0.0 110.714 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.259 11.5 tt . . . . . 0 C--O 1.25 1.132 0 C-N-CA 125.72 1.608 . . . . 0.0 111.313 174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.32 49.63 1.79 Allowed 'General case' 0 CA--C 1.551 0.994 0 O-C-N 120.18 -1.575 . . . . 0.0 113.356 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m 56.1 41.21 29.85 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.162 1.385 . . . . 0.0 113.741 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 pt -120.61 -5.39 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.449 1.499 . . . . 0.0 113.45 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -95.9 157.52 15.86 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.857 1.263 . . . . 0.0 111.182 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.42 -175.86 22.13 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.208 0.908 . . . . 0.0 113.046 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 149.86 20.83 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.35 1.06 . . . . 0.0 109.843 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -156.17 157.59 36.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.728 0.775 . . . . 0.0 110.335 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.3 160.66 29.74 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 123.823 0.849 . . . . 0.0 111.118 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 10' ' ' LEU 0.288 0.0 OUTLIER -60.33 159.2 10.41 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.902 0.858 . . . . 0.0 112.397 170.583 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.33 169.57 24.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.41 2.284 . . . . 0.0 108.066 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 52.4 39.74 28.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.913 -1.117 . . . . 0.0 112.941 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.454 ' HB3' HD21 ' A' ' 10' ' ' LEU . 10.6 p -58.64 100.02 0.06 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.109 1.433 . . . . 0.0 111.398 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.73 137.07 29.55 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 108.713 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 63.48 -4.56 0.31 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.49 1.916 . . . . 0.0 114.917 -179.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 47.5 p90 -46.03 -41.91 12.62 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.053 2.541 . . . . 0.0 113.859 176.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.13 -31.06 51.25 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 120.025 1.284 . . . . 0.0 113.712 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.07 -25.05 32.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.612 1.565 . . . . 0.0 113.147 172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 124' ' ' SER . 6.0 m-30 -83.53 -39.37 20.51 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.334 -1.479 . . . . 0.0 112.068 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -28.43 69.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.092 0.957 . . . . 0.0 111.893 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -48.94 -45.26 41.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.241 1.017 . . . . 0.0 111.547 165.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -85.76 -14.99 43.57 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.725 1.21 . . . . 0.0 114.087 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -81.85 -8.29 59.67 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.612 1.165 . . . . 0.0 112.081 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.0 -32.94 6.7 Favored Glycine 0 N--CA 1.479 1.508 0 C-N-CA 126.803 2.144 . . . . 0.0 113.519 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 25' ' ' VAL . 1.7 m -64.67 178.03 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 128.877 2.871 . . . . 0.0 114.248 169.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.17 -121.06 1.25 Allowed Glycine 0 N--CA 1.474 1.211 0 C-N-CA 124.736 1.16 . . . . 0.0 113.549 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.95 -36.44 82.22 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.638 -1.507 . . . . 0.0 113.168 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 mmt -52.6 -29.83 27.94 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -99.08 -25.82 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.456 1.103 . . . . 0.0 112.583 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -41.63 98.71 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.964 1.256 . . . . 0.0 111.095 171.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -72.91 -30.8 64.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 0.0 111.769 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.37 82.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.841 0.456 . . . . 0.0 111.258 171.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.58 -26.52 65.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.385 1.474 . . . . 0.0 113.812 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -61.56 -17.49 55.18 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 37' ' ' LYS . 12.7 t -141.67 -148.54 0.24 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.765 2.026 . . . . 0.0 109.619 -174.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -121.87 32.7 5.75 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.31 1.844 . . . . 0.0 111.489 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' H ' HG23 ' A' ' 35' ' ' THR . 18.6 mttp -62.69 -38.38 43.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 116.414 -1.755 . . . . 0.0 114.075 165.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 55' ' ' SER . 29.6 Cg_endo -77.96 106.59 2.2 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 CA-C-N 122.11 1.789 . . . . 0.0 109.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.8 m -117.3 138.91 51.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.28 1.432 . . . . 0.0 109.316 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.71 147.61 52.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 108.377 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.49 133.71 54.58 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.77 123.16 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.15 125.49 29.61 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.902 1.281 . . . . 0.0 109.211 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.14 92.26 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 126.143 1.777 . . . . 0.0 107.337 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -79.4 64.37 4.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.011 1.724 . . . . 0.0 110.286 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 67.72 -49.0 0.52 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.103 2.961 . . . . 0.0 114.227 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.07 -44.12 0.47 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.722 2.009 . . . . 0.0 110.976 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.43 140.06 54.43 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.192 0.997 . . . . 0.0 112.006 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 124.39 45.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 109.513 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.49 98.93 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.214 1.405 . . . . 0.0 108.235 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -89.23 94.27 9.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.24 1.816 . . . . 0.0 109.315 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.12 130.9 34.38 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.929 0.891 . . . . 0.0 108.996 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.3 m -121.05 85.03 2.33 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.622 1.169 . . . . 0.0 111.057 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.76 38.79 0.59 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.906 1.283 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 16.3 t -152.54 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.463 -177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p 43.94 53.95 6.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.964 2.506 . . . . 0.0 113.256 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.7 t80 65.25 -42.84 0.33 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 129.252 3.021 . . . . 0.0 114.195 -170.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -140.77 125.6 18.14 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.299 2.24 . . . . 0.0 110.353 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -57.39 139.32 53.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.839 1.256 . . . . 0.0 113.044 175.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -155.91 168.7 26.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.516 1.526 . . . . 0.0 112.109 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -123.45 137.63 54.76 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.334 1.853 . . . . 0.0 110.039 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.56 101.17 5.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.593 1.157 . . . . 0.0 109.881 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -112.42 127.5 56.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.657 1.183 . . . . 0.0 111.545 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -145.84 175.97 10.01 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.472 1.109 . . . . 0.0 111.588 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.98 167.61 17.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.854 0.862 . . . . 0.0 110.965 167.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.99 95.34 0.54 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.043 1.337 . . . . 0.0 111.19 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.63 27.49 42.42 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -90.73 111.1 22.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.474 1.137 . . . . 0.0 111.276 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.31 129.89 40.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.464 1.505 . . . . 0.0 111.515 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -143.31 170.92 14.86 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.741 1.216 . . . . 0.0 111.088 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -149.51 121.96 8.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.437 1.095 . . . . 0.0 109.367 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -150.38 161.4 42.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.368 1.067 . . . . 0.0 111.843 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.14 122.04 22.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.946 0.498 . . . . 0.0 111.793 171.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -159.14 0.17 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.314 1.845 . . . . 0.0 112.257 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.43 -116.05 0.9 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.04 1.736 . . . . 0.0 110.776 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.98 14.85 0.77 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.8 37.53 9.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.432 1.015 . . . . 0.0 111.666 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 154.84 41.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.073 1.749 . . . . 0.0 111.702 -176.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -123.44 103.5 8.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.894 1.277 . . . . 0.0 111.382 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.59 161.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.258 1.423 . . . . 0.0 109.952 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 150.11 10.57 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.355 0.662 . . . . 0.0 110.473 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -149.31 121.22 8.19 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 125.65 1.58 . . . . 0.0 108.636 174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.5 123.38 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.956 1.702 . . . . 0.0 107.167 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.38 130.22 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -145.05 152.21 39.76 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.324 1.059 . . . . 0.0 112.63 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -94.13 104.25 16.28 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 126.22 1.808 . . . . 0.0 109.82 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.12 98.65 3.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.476 1.11 . . . . 0.0 110.472 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.02 38.16 88.22 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.136 1.35 . . . . 0.0 115.616 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 52.97 41.31 32.08 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.57 . . . . 0.0 114.984 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -157.21 -42.76 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.597 1.559 . . . . 0.0 112.697 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.95 155.27 21.99 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.402 1.481 . . . . 0.0 109.798 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -137.47 137.91 39.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 125.281 1.433 . . . . 0.0 108.928 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.32 127.79 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.934 1.293 . . . . 0.0 107.806 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -138.25 123.67 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.419 1.088 . . . . 0.0 109.789 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.3 m -125.29 130.92 52.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.333 0.653 . . . . 0.0 109.751 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -137.26 145.25 43.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.074 0.55 . . . . 0.0 112.169 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -83.8 27.41 0.64 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.436 1.094 . . . . 0.0 112.325 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.88 -46.4 4.98 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 127.061 2.267 . . . . 0.0 114.488 -170.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -119.09 -30.3 5.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.909 1.283 . . . . 0.0 113.914 162.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.55 -26.37 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 156.1 109.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.725 3.21 . . . . 0.0 109.05 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.444 HG23 ' SG ' ' A' ' 119' ' ' CYS . 3.6 p -106.73 109.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.936 2.094 . . . . 0.0 106.752 170.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -97.5 96.82 8.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.638 1.108 . . . . 0.0 110.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' ALA . 78.8 mt -91.87 135.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.212 1.005 . . . . 0.0 109.37 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.57 124.2 63.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.459 1.904 . . . . 0.0 107.41 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -136.79 143.39 43.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.128 0.971 . . . . 0.0 110.657 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.7 134.42 41.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.603 0.761 . . . . 0.0 111.079 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 113' ' ' VAL . 1.6 t80 -74.31 134.95 42.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.64 1.176 . . . . 0.0 112.124 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -106.81 -43.35 4.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.421 0.688 . . . . 0.0 112.753 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.19 -40.49 0.55 Allowed Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.148 0.88 . . . . 0.0 113.984 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.39 -17.73 10.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.818 1.647 . . . . 0.0 113.04 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -149.96 172.99 14.32 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 127.502 2.321 . . . . 0.0 109.32 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 108' ' ' PHE . 2.3 m -135.62 148.54 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 109.673 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -88.12 152.49 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 O-C-N 121.097 -1.002 . . . . 0.0 110.14 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 t -137.31 128.65 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.041 1.336 . . . . 0.0 110.774 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 m -137.74 99.1 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 109.359 -175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 124' ' ' SER . . . -75.49 165.03 25.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.818 -1.176 . . . . 0.0 110.967 168.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -162.89 84.44 0.52 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.482 1.913 . . . . 0.0 108.025 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -79.32 -163.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.148 0.979 . . . . 0.0 110.7 171.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.72 63.65 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.773 2.029 . . . . 0.0 113.963 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 90.87 25.34 25.16 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.92 1.724 . . . . 0.0 114.442 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.8 t -136.47 97.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 108.455 -172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.1 m -108.37 125.21 51.47 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 121.025 -1.047 . . . . 0.0 110.991 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.495 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 1.3 p -93.34 165.97 12.53 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -164.24 89.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 126.826 2.05 . . . . 0.0 107.328 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 154.64 49.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.799 1.64 . . . . 0.0 109.289 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -102.09 152.12 21.36 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -123.5 123.09 39.85 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.687 1.195 . . . . 0.0 109.502 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.51 110.47 19.23 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.991 1.316 . . . . 0.0 109.661 -175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.47 134.21 34.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.765 1.226 . . . . 0.0 111.795 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.829 2.452 . . . . 0.0 111.511 -172.071 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 41.19 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 128.179 2.592 . . . . 0.0 116.399 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -156.14 -40.85 0.08 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.889 2.075 . . . . 0.0 111.262 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -81.93 -2.07 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.123 1.769 . . . . 0.0 112.783 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.34 149.04 24.74 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.941 1.697 . . . . 0.0 111.731 172.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.65 -164.12 30.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.183 0.897 . . . . 0.0 113.232 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -111.57 144.04 41.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.879 1.671 . . . . 0.0 109.599 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -148.83 128.89 13.56 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.564 0.745 . . . . 0.0 112.163 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -117.36 142.11 47.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.531 1.133 . . . . 0.0 113.769 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.82 127.97 22.49 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.818 1.647 . . . . 0.0 111.249 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.64 60.15 1.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.438 1.495 . . . . 0.0 111.377 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 -46.98 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p 40.81 70.68 0.24 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.484 2.314 . . . . 0.0 114.369 -171.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -130.61 140.25 50.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.557 1.143 . . . . 0.0 113.035 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.15 11.26 0.15 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 127.489 2.316 . . . . 0.0 115.662 -169.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -60.29 -45.29 93.87 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.795 1.638 . . . . 0.0 112.489 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.0 -35.41 71.18 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 120.771 1.623 . . . . 0.0 112.832 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.01 -41.57 35.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.612 1.565 . . . . 0.0 112.67 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -64.52 -32.34 73.94 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.004 -1.685 . . . . 0.0 114.388 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.68 -34.82 69.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.513 2.325 . . . . 0.0 111.759 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -56.07 -24.77 42.01 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.058 0.943 . . . . 0.0 112.882 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -107.91 -31.39 8.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.433 1.893 . . . . 0.0 113.458 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -80.31 -7.21 58.95 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.885 1.674 . . . . 0.0 111.923 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.35 -27.99 5.43 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 127.001 2.239 . . . . 0.0 114.057 173.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 57' ' ' PHE . 7.0 m -66.22 177.51 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 128.086 2.554 . . . . 0.0 114.256 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.31 -129.83 1.06 Allowed Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.384 0.993 . . . . 0.0 111.238 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -42.06 -44.91 3.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.787 1.235 . . . . 0.0 114.26 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.47 -25.16 67.85 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 -25.66 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.334 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -42.23 81.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.617 1.553 . . . . 0.0 112.16 169.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.2 p -70.3 -36.57 74.42 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.776 1.23 . . . . 0.0 112.394 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.96 74.55 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.885 0.874 . . . . 0.0 112.742 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -21.63 61.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 127.777 2.431 . . . . 0.0 114.313 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -14.37 3.15 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.06 1.344 . . . . 0.0 114.167 163.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 t -147.38 -149.78 0.31 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.406 2.282 . . . . 0.0 109.104 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.0 31.54 6.17 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.172 2.189 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -55.36 -43.73 99.27 Favored Pre-proline 0 N--CA 1.476 0.834 0 CA-C-O 117.262 -1.352 . . . . 0.0 114.157 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.66 134.24 12.09 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.714 1.61 . . . . 0.0 111.892 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -126.14 173.46 9.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.115 0.966 . . . . 0.0 112.475 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -141.03 137.86 33.24 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.972 2.109 . . . . 0.0 107.749 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -114.6 122.4 46.39 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 t -112.36 115.98 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.52 129.57 54.75 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 124.938 1.295 . . . . 0.0 109.039 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.75 84.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -79.35 153.6 29.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.271 174.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -74.58 58.87 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 112.937 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -167.19 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.749 2.42 . . . . 0.0 112.024 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -161.07 169.35 22.61 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.211 1.804 . . . . 0.0 110.626 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.49 147.45 26.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.892 0.877 . . . . 0.0 109.365 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.49 109.52 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.038 1.735 . . . . 0.0 108.022 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 84' ' ' ILE . 7.2 m-85 -104.64 84.5 2.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.506 2.322 . . . . 0.0 108.628 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.612 ' HE ' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.98 112.88 7.48 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 120.995 -1.065 . . . . 0.0 108.784 173.343 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -92.62 121.76 34.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.612 HD11 ' HE ' ' A' ' 52' ' ' ARG . 2.8 mm? -118.49 38.82 3.63 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.934 1.294 . . . . 0.0 108.721 173.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -137.83 -142.86 0.17 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.447 2.299 . . . . 0.0 108.249 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' HA ' HG11 ' A' ' 25' ' ' VAL . 68.1 p 50.57 41.38 25.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.66 1.984 . . . . 0.0 113.976 163.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' HG12 ' A' ' 25' ' ' VAL . 2.6 t80 70.25 -42.93 0.53 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 128.956 2.902 . . . . 0.0 113.014 -173.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.71 103.66 4.4 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.76 2.024 . . . . 0.0 109.989 -162.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -58.62 144.33 43.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.573 1.549 . . . . 0.0 113.318 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -173.2 155.52 2.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.874 2.07 . . . . 0.0 111.675 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.1 147.23 23.11 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.307 -1.495 . . . . 0.0 112.618 166.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.97 143.96 51.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.574 1.55 . . . . 0.0 108.723 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -143.2 119.8 11.08 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.659 0.784 . . . . 0.0 110.385 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -151.65 167.35 28.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.346 1.07 . . . . 0.0 111.5 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -75.0 164.34 26.66 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.688 1.195 . . . . 0.0 111.044 172.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.43 99.78 3.06 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.851 1.66 . . . . 0.0 109.722 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.56 9.01 56.98 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.01 1.29 . . . . 0.0 115.949 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -83.78 99.71 10.46 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.582 1.691 . . . . 0.0 112.024 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.66 114.67 4.12 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.236 1.014 . . . . 0.0 111.353 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -141.34 172.32 12.84 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 111.446 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.66 157.9 20.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.7 1.2 . . . . 0.0 111.433 175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.25 114.95 4.58 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.711 1.204 . . . . 0.0 110.846 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -78.24 82.15 4.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 112.163 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.7 -158.84 0.63 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.666 1.586 . . . . 0.0 111.46 -173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 50.08 39.81 20.11 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 171.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 112.47 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 131.676 3.991 . . . . 0.0 112.715 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.35 31.18 69.28 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.155 -1.591 . . . . 0.0 112.872 -171.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.78 166.94 10.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 109.677 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.71 132.36 30.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 111.082 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 157.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 -174.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -69.3 62.84 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -45.27 107.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.782 1.633 . . . . 0.0 110.671 167.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.83 141.47 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.251 1.42 . . . . 0.0 108.751 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 51' ' ' PHE . 25.7 mm -136.99 130.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -145.57 119.98 9.65 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.278 1.037 . . . . 0.0 110.867 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.76 131.16 46.08 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.679 1.192 . . . . 0.0 109.558 170.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.58 105.51 13.72 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.931 2.093 . . . . 0.0 108.859 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.69 -99.09 2.41 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.577 1.084 . . . . 0.0 112.081 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -161.18 17.99 0.11 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.986 1.714 . . . . 0.0 113.367 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -160.07 -27.63 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -168.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -101.48 146.65 27.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.819 1.647 . . . . 0.0 109.217 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -142.51 110.08 5.76 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.223 1.009 . . . . 0.0 109.189 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 m -86.83 141.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 122.223 1.011 . . . . 0.0 109.571 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -128.42 114.98 17.5 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.459 2.303 . . . . 0.0 106.85 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -102.01 143.59 31.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -150.73 126.61 10.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 109.766 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -78.11 40.46 0.34 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.678 -1.264 . . . . 0.0 112.477 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.14 63.26 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 120.652 -1.28 . . . . 0.0 112.824 -174.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.93 -44.69 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.315 1.446 . . . . 0.0 112.168 164.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 -47.58 0.87 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 165.04 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.638 2.775 . . . . 0.0 109.284 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -67.13 127.36 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 120.253 -1.529 . . . . 0.0 109.135 170.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.2 79.1 1.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.652 1.581 . . . . 0.0 108.11 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.87 148.8 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 108.755 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.76 138.39 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 127.685 2.394 . . . . 0.0 105.037 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.667 HH22 HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -132.29 145.3 51.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 109.057 170.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -137.2 124.19 21.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.197 0.599 . . . . 0.0 110.389 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 130.45 42.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.256 0.623 . . . . 0.0 110.707 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -43.22 4.97 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.781 1.233 . . . . 0.0 111.416 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.76 -43.74 0.78 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.125 1.345 . . . . 0.0 112.793 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.01 -22.8 12.54 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.721 1.608 . . . . 0.0 112.264 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -145.03 178.36 8.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.238 2.215 . . . . 0.0 109.812 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.01 148.91 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.727 2.411 . . . . 0.0 108.456 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.6 112.41 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.574 0.749 . . . . 0.0 109.678 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.7 t -92.18 136.61 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.435 1.094 . . . . 0.0 109.692 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 m -136.29 105.48 6.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.83 2.452 . . . . 0.0 108.285 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.89 148.43 22.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.996 0.918 . . . . 0.0 110.919 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -159.79 90.09 0.91 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.196 1.398 . . . . 0.0 110.497 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.414 ' SG ' ' HB ' ' A' ' 122' ' ' VAL . 0.5 OUTLIER -88.82 -167.96 2.04 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.238 -1.539 . . . . 0.0 112.356 173.313 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -32.29 -41.72 0.06 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.686 2.794 . . . . 0.0 116.244 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -166.06 34.9 0.24 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.376 0.988 . . . . 0.0 114.208 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.414 ' HB ' ' SG ' ' A' ' 119' ' ' CYS . 0.9 OUTLIER -140.99 127.17 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.797 1.639 . . . . 0.0 108.219 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -129.44 128.92 43.92 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.393 1.077 . . . . 0.0 109.182 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.91 158.1 45.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.071 1.349 . . . . 0.0 110.315 -170.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.37 127.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.841 -0.537 . . . . 0.0 109.683 -172.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -149.74 129.37 13.16 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.353 0.661 . . . . 0.0 112.143 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.3 m -71.98 148.33 46.05 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.31 124.3 43.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.974 2.11 . . . . 0.0 109.065 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -83.0 109.38 17.04 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.134 1.373 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.56 130.08 41.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 110.943 173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.943 2.497 . . . . 0.0 110.346 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.34 44.4 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 117.53 2.419 . . . . 0.0 117.53 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -167.81 -27.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 128.007 2.523 . . . . 0.0 111.73 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 92' ' ' PHE 0.272 8.4 pt 44.3 30.24 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 127.594 2.358 . . . . 0.0 114.214 -174.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.15 166.78 15.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.238 1.015 . . . . 0.0 112.329 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.9 -173.22 20.32 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.66 0.648 . . . . 0.0 113.272 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -91.92 136.79 32.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.449 1.1 . . . . 0.0 110.44 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -130.31 100.41 5.37 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.067 0.947 . . . . 0.0 110.782 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -82.31 162.16 22.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.461 1.904 . . . . 0.0 111.843 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 143.22 48.08 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.794 1.179 . . . . 0.0 113.906 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.63 161.94 41.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.376 1.871 . . . . 0.0 109.937 171.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? 36.82 50.57 0.86 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.268 1.827 . . . . 0.0 113.228 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.8 p -58.87 132.36 53.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.443 -1.411 . . . . 0.0 111.786 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -160.25 142.59 13.09 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.3 -0.875 . . . . 0.0 110.001 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 51.45 22.17 1.42 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -169.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -57.82 -46.8 84.18 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.481 1.112 . . . . 0.0 111.827 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.33 -27.98 64.64 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.585 1.084 . . . . 0.0 112.297 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 122' ' ' VAL . 3.2 tp10 -80.2 -46.3 16.55 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.264 0.626 . . . . 0.0 111.697 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.87 -38.64 91.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.912 -1.117 . . . . 0.0 113.26 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -22.97 62.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.164 0.986 . . . . 0.0 112.409 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.71 -32.33 72.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.361 1.065 . . . . 0.0 113.554 167.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -36.38 16.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.286 1.434 . . . . 0.0 111.893 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.49 -32.59 72.68 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.941 0.896 . . . . 0.0 112.837 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -3.25 76.3 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.636 1.112 . . . . 0.0 113.961 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m -66.05 178.31 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.885 1.674 . . . . 0.0 113.211 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.35 -158.8 10.11 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.421 1.486 . . . . 0.0 113.444 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.46 -29.44 35.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.109 1.363 . . . . 0.0 113.045 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -56.3 -26.81 53.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 113.914 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.76 -25.18 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.269 -0.895 . . . . 0.0 111.098 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -60.44 -38.75 85.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.263 -0.898 . . . . 0.0 112.333 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -75.39 -29.27 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.522 1.056 . . . . 0.0 111.36 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.92 -16.93 63.89 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 173.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.03 -33.84 27.03 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.92 -1.112 . . . . 0.0 112.487 162.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.8 5.98 25.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.973 1.309 . . . . 0.0 112.988 -176.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -159.35 134.29 8.1 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.316 1.046 . . . . 0.0 113.174 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.74 123.64 16.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.106 0.963 . . . . 0.0 111.351 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 16.1 mttm -157.07 -53.6 0.02 OUTLIER Pre-proline 0 N--CA 1.482 1.145 0 C-N-CA 125.479 1.512 . . . . 0.0 112.669 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 73.2 Cg_endo -76.67 98.31 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.562 2.174 . . . . 0.0 109.53 -176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -112.5 154.92 25.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.928 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.63 117.28 19.27 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.248 0.619 . . . . 0.0 110.039 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.98 91.54 7.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.922 0.868 . . . . 0.0 108.822 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -79.81 133.24 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.52 123.98 18.21 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.027 1.331 . . . . 0.0 110.473 169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.0 105.61 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.004 0.922 . . . . 0.0 108.659 -174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -101.01 78.69 1.95 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.254 1.422 . . . . 0.0 109.855 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 58.63 -64.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.349 2.66 . . . . 0.0 115.274 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -132.8 -34.1 1.16 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.036 0.935 . . . . 0.0 112.894 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.82 117.4 19.15 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.961 0.504 . . . . 0.0 109.843 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -83.06 155.95 23.61 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.197 0.999 . . . . 0.0 111.792 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.45 116.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 126.519 1.928 . . . . 0.0 105.96 168.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.46 78.23 1.1 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.963 1.705 . . . . 0.0 108.742 -176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 117.1 18.14 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.134 -0.979 . . . . 0.0 110.104 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 t -102.26 100.04 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.635 0.731 . . . . 0.0 109.244 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.65 36.09 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 110.374 173.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 38' ' ' PRO . 60.0 p -123.34 -136.53 0.29 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.053 1.741 . . . . 0.0 111.498 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p 46.75 27.95 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.433 2.293 . . . . 0.0 116.188 168.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 t80 52.11 19.56 1.08 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.353 1.461 . . . . 0.0 112.795 -170.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -165.77 108.64 0.79 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.097 1.759 . . . . 0.0 110.614 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -62.83 131.88 50.32 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.608 -0.683 . . . . 0.0 112.267 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -154.07 142.09 20.25 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.67 130.41 54.41 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.758 -1.214 . . . . 0.0 112.705 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.8 140.96 48.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.099 0.96 . . . . 0.0 109.948 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -154.65 117.76 4.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.579 0.627 . . . . 0.0 111.11 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -151.98 177.55 10.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.745 0.818 . . . . 0.0 112.493 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -100.73 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.223 1.409 . . . . 0.0 112.721 176.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -160.73 109.95 1.68 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.072 1.349 . . . . 0.0 109.083 175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.4 12.6 61.1 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.556 0.598 . . . . 0.0 114.532 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 118.37 4.97 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.292 1.046 . . . . 0.0 109.346 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -120.96 110.75 16.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 110.797 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.02 -177.94 5.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.954 1.702 . . . . 0.0 111.744 -176.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -138.72 122.58 17.7 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.356 1.062 . . . . 0.0 110.095 173.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.11 164.91 34.87 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.812 1.245 . . . . 0.0 111.635 -176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.19 131.12 46.48 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.78 -179.22 7.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.606 1.562 . . . . 0.0 111.685 -174.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 45.12 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.848 0.859 . . . . 0.0 111.253 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -42.37 -45.94 4.48 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.287 1.435 . . . . 0.0 113.999 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.31 52.03 0.03 OUTLIER Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.319 0.485 . . . . 0.0 112.402 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.29 51.79 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 110.288 -171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.44 106.01 12.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.211 0.605 . . . . 0.0 109.988 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.41 167.93 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.724 1.21 . . . . 0.0 110.299 -170.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -51.06 143.51 10.44 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.318 -0.238 . . . . 0.0 110.759 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -139.73 110.73 6.89 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.721 2.008 . . . . 0.0 107.934 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.07 130.99 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 C-N-CA 124.385 1.074 . . . . 0.0 109.135 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.92 137.9 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 124.869 1.268 . . . . 0.0 109.026 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -147.01 151.35 36.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.458 1.503 . . . . 0.0 111.507 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 132.87 55.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.016 1.327 . . . . 0.0 110.361 -172.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.2 103.83 13.45 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.579 1.551 . . . . 0.0 108.76 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.15 39.42 34.52 Favored Glycine 0 N--CA 1.473 1.103 0 C-N-CA 125.734 1.635 . . . . 0.0 115.196 174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.255 2.8 p-10 42.5 60.49 2.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.618 1.199 . . . . 0.0 112.253 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.85 -44.72 0.09 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.12 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -115.48 149.76 37.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.643 1.577 . . . . 0.0 110.751 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 4' ' ' ILE . 5.6 m-85 -131.61 96.4 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.217 1.807 . . . . 0.0 109.035 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.6 t -84.57 129.35 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.84 127.61 27.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.381 1.072 . . . . 0.0 109.465 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.2 m -122.38 134.53 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.804 0.842 . . . . 0.0 109.224 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -138.51 154.89 48.8 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.681 0.792 . . . . 0.0 110.042 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.05 26.36 1.39 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.237 -1.539 . . . . 0.0 111.633 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -34.69 -53.28 0.81 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 127.772 2.606 . . . . 0.0 115.415 -168.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.89 -17.67 8.42 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.331 1.053 . . . . 0.0 111.913 165.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.82 -31.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.197 2.199 . . . . 0.0 113.957 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 170.66 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.249 2.219 . . . . 0.0 109.761 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 119' ' ' CYS . 14.8 p -113.74 134.95 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.15 1.38 . . . . 0.0 107.739 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -119.72 94.13 4.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.004 1.322 . . . . 0.0 109.044 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 102' ' ' VAL . 1.7 mp -81.91 134.12 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.098 0.951 . . . . 0.0 108.522 170.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.08 135.55 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 164.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -127.0 128.89 47.06 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.257 1.423 . . . . 0.0 108.072 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -131.77 134.52 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.906 1.685 . . . . 0.0 111.313 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 113' ' ' VAL . 3.1 t80 -93.31 111.25 22.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 -171.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -77.42 -38.7 49.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.292 1.037 . . . . 0.0 112.777 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.01 -42.34 1.01 Allowed Glycine 0 N--CA 1.472 1.086 0 C-N-CA 123.742 0.686 . . . . 0.0 113.891 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -101.78 -16.77 16.51 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.981 1.312 . . . . 0.0 111.745 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.81 173.2 14.49 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.433 1.493 . . . . 0.0 110.549 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.5 t -117.28 151.3 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.467 1.507 . . . . 0.0 109.732 172.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -104.39 139.58 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.271 -0.893 . . . . 0.0 110.324 166.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.88 141.08 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.394 1.478 . . . . 0.0 109.345 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -137.31 96.61 3.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 126.474 1.909 . . . . 0.0 107.723 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -93.77 88.74 5.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.7 t -95.95 136.94 35.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.493 ' SG ' HG23 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -149.22 -149.76 0.32 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.002 1.321 . . . . 0.0 110.333 -170.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -84.02 61.1 6.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.169 1.788 . . . . 0.0 110.063 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.1 -6.07 75.81 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.297 0.951 . . . . 0.0 114.15 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.418 HG22 ' HG3' ' A' ' 18' ' ' GLU . 62.0 t -87.18 124.52 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.984 1.313 . . . . 0.0 108.512 166.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 35.5 m -140.87 95.28 2.83 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.71 0.686 . . . . 0.0 109.903 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 157.69 22.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.795 0.807 . . . . 0.0 111.585 176.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.02 118.15 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.258 1.423 . . . . 0.0 109.787 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.09 157.6 45.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.257 1.023 . . . . 0.0 111.329 175.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 93.5 m -94.3 170.1 9.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.49 115.2 9.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.459 -1.401 . . . . 0.0 109.838 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 101.08 3.16 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.708 1.603 . . . . 0.0 111.538 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.89 115.73 9.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.477 1.511 . . . . 0.0 110.487 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . 0.262 0.2 OUTLIER . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 126.514 1.926 . . . . 0.0 108.812 176.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 117.293 -1.337 . . . . 0.0 113.104 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.1 44.2 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.994 2.118 . . . . 0.0 115.424 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.6 -25.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.615 2.366 . . . . 0.0 111.879 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 92' ' ' PHE . 2.6 pt 35.94 35.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 128.228 2.611 . . . . 0.0 115.111 -172.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.36 157.85 17.04 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.432 -0.793 . . . . 0.0 112.667 -168.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.62 -169.31 24.65 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.292 0.948 . . . . 0.0 112.475 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -119.11 120.51 37.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.179 1.392 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.72 102.08 9.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.321 1.048 . . . . 0.0 109.428 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 147.24 50.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.909 0.483 . . . . 0.0 111.679 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.265 0.0 OUTLIER -61.38 145.74 50.59 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 169.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -153.2 -179.66 7.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.759 2.024 . . . . 0.0 108.254 -176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 60.2 -62.06 0.06 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.171 2.589 . . . . 0.0 113.691 -168.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.74 100.11 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.473 2.309 . . . . 0.0 114.078 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -153.97 133.63 12.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.813 1.245 . . . . 0.0 109.689 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 54.52 12.52 0.55 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -167.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.95 -48.11 64.43 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 120.979 -1.076 . . . . 0.0 112.607 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.94 -31.2 68.48 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.578 -1.326 . . . . 0.0 112.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.23 -39.28 25.6 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.803 1.241 . . . . 0.0 113.06 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.26 -40.2 67.85 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.143 1.377 . . . . 0.0 114.335 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.13 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.707 1.203 . . . . 0.0 112.091 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.76 -35.99 24.28 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.125 1.37 . . . . 0.0 112.355 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -94.2 -35.3 12.55 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 126.852 2.061 . . . . 0.0 113.144 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.02 -18.75 63.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.43 1.092 . . . . 0.0 112.344 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.25 -11.9 60.18 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.398 1.952 . . . . 0.0 113.027 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 29' ' ' VAL . 8.2 m -106.27 -153.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 126.665 1.986 . . . . 0.0 110.88 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.41 -1.44 2.99 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 119.829 1.195 . . . . 0.0 113.961 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -96.97 -88.88 0.28 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.124 1.37 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -28.19 69.73 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 112.921 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 25' ' ' VAL . 10.5 t -76.17 -29.21 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.228 -0.92 . . . . 0.0 111.451 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.5 -46.47 72.83 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.994 1.27 . . . . 0.0 111.854 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.1 p -66.19 -36.02 81.97 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.563 -0.711 . . . . 0.0 110.917 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.86 70.25 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.46 73.51 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.214 -1.554 . . . . 0.0 111.144 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -26.65 66.14 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -157.57 122.76 4.5 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.971 1.259 . . . . 0.0 113.79 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.61 142.7 7.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.102 0.961 . . . . 0.0 113.115 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -177.55 -53.24 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 126.237 1.815 . . . . 0.0 112.974 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.01 136.0 16.04 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.035 1.823 . . . . 0.0 111.881 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 t -141.15 167.65 21.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.603 1.161 . . . . 0.0 111.595 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -129.11 107.51 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.462 1.105 . . . . 0.0 108.308 -176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 109.38 4.09 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.956 0.884 . . . . 0.0 109.315 167.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.2 129.22 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 166.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' C ' HD12 ' A' ' 44' ' ' ILE . . . -139.84 129.72 24.74 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.179 0.991 . . . . 0.0 110.339 173.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 43' ' ' ALA . 1.9 mp -122.74 96.7 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -171.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.3 38.76 0.18 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.455 1.902 . . . . 0.0 112.019 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.83 12.93 1.28 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 127.2 2.2 . . . . 0.0 114.566 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -177.53 -61.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.789 2.036 . . . . 0.0 110.299 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.19 125.04 26.82 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.408 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.0 130.63 48.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.326 1.45 . . . . 0.0 109.047 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -121.0 112.71 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -113.94 81.92 1.61 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 109.049 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 143.44 35.25 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.937 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -133.87 87.23 2.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.084 1.354 . . . . 0.0 109.227 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.11 42.9 0.59 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.535 1.534 . . . . 0.0 111.285 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -129.6 -138.91 0.22 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.328 1.851 . . . . 0.0 110.334 -172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.1 p 45.67 52.39 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.561 1.544 . . . . 0.0 113.91 155.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.0 t80 61.68 -47.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.603 2.361 . . . . 0.0 115.38 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -136.89 149.47 47.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.156 1.382 . . . . 0.0 111.223 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -62.42 148.57 45.08 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -147.29 129.89 15.96 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.39 1.076 . . . . 0.0 110.25 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 137.18 32.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.787 0.804 . . . . 0.0 111.085 168.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.56 135.51 33.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.459 1.104 . . . . 0.0 109.646 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -135.18 124.36 24.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.114 0.966 . . . . 0.0 110.448 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -154.55 -179.55 8.08 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.287 1.435 . . . . 0.0 112.056 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.3 mptt -82.07 176.59 9.4 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.036 -1.04 . . . . 0.0 110.592 168.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.38 130.3 42.81 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.73 17.3 69.03 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 123.79 0.71 . . . . 0.0 114.699 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 3.4 mm-40 -61.87 111.09 1.75 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.827 1.251 . . . . 0.0 111.83 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.66 113.21 24.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.972 . . . . 0.0 110.58 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.65 173.87 11.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.441 1.496 . . . . 0.0 111.265 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -138.38 104.25 5.12 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.677 1.191 . . . . 0.0 109.534 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.92 168.08 28.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.823 1.249 . . . . 0.0 111.568 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -53.36 115.37 1.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 113.546 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.13 -175.08 4.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.758 1.623 . . . . 0.0 109.815 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 46.7 -132.87 1.12 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.293 1.437 . . . . 0.0 112.912 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.13 -15.22 44.17 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.31 36.95 0.48 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.566 1.079 . . . . 0.0 112.087 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.66 41.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.208 1.403 . . . . 0.0 109.781 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -81.49 109.59 16.1 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.29 0.636 . . . . 0.0 110.467 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.26 166.84 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 110.942 -177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -52.06 140.89 19.49 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.411 0.624 . . . . 0.0 111.615 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 t -145.94 111.33 5.42 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 126.098 1.759 . . . . 0.0 107.166 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.5 113.41 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.558 1.543 . . . . 0.0 108.147 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.05 126.69 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.312 1.045 . . . . 0.0 109.201 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -139.1 152.89 47.87 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.552 1.141 . . . . 0.0 111.732 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.97 125.55 50.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.146 2.178 . . . . 0.0 110.419 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.81 112.52 24.24 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.867 2.067 . . . . 0.0 109.362 172.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.99 35.7 6.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.45 1.5 . . . . 0.0 116.428 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.78 36.25 27.43 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.236 1.414 . . . . 0.0 113.171 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -135.01 -48.91 0.74 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.429 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HD3' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -120.38 140.48 51.26 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.954 1.301 . . . . 0.0 111.001 -176.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.2 m-85 -132.51 96.2 3.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.839 1.656 . . . . 0.0 108.416 -173.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 HG12 ' A' ' 105' ' ' ILE . 32.9 m -82.75 140.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.439 171.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -131.66 127.06 36.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.759 1.624 . . . . 0.0 109.335 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.7 m -125.28 141.36 52.13 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.006 0.522 . . . . 0.0 110.24 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -143.81 153.12 42.06 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.96 0.904 . . . . 0.0 111.128 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.58 10.71 19.52 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -29.69 -54.93 0.19 Allowed Glycine 0 CA--C 1.536 1.38 0 C-N-CA 127.833 2.635 . . . . 0.0 116.743 -167.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.97 -41.32 3.56 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.416 1.086 . . . . 0.0 111.732 166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -58.69 0.19 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.926 1.29 . . . . 0.0 111.975 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -172.66 93.08 0.11 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.94 1.696 . . . . 0.0 110.32 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.08 115.12 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 129.38 43.03 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.9 mt -131.34 146.05 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 123.717 0.807 . . . . 0.0 108.946 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.491 HG12 HG12 ' A' ' 93' ' ' VAL . 3.6 mt -127.37 134.79 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 125.615 1.566 . . . . 0.0 108.076 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -125.29 126.58 45.34 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.153 1.381 . . . . 0.0 110.242 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -122.6 118.7 28.8 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.242 0.928 . . . . 0.0 112.296 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 113' ' ' VAL . 70.6 t80 -71.98 91.43 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.885 1.674 . . . . 0.0 112.641 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.07 -39.66 94.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.736 0.814 . . . . 0.0 112.363 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.81 -43.95 0.85 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.72 1.153 . . . . 0.0 113.648 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -113.32 -13.27 12.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.918 1.287 . . . . 0.0 112.137 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -146.52 173.69 12.08 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.686 1.594 . . . . 0.0 110.34 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 108' ' ' PHE . 29.5 t -126.1 138.52 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.43 1.492 . . . . 0.0 109.954 174.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.04 118.95 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.377 -0.827 . . . . 0.0 111.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.58 129.8 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.271 1.428 . . . . 0.0 110.187 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 m -131.33 93.58 3.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.175 1.79 . . . . 0.0 108.09 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.77 149.46 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.676 0.391 . . . . 0.0 111.09 172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 p -159.59 86.52 0.79 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.183 1.793 . . . . 0.0 110.378 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.42 -167.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.388 1.075 . . . . 0.0 112.473 167.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -41.86 -43.21 2.94 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.155 2.182 . . . . 0.0 114.735 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.43 31.82 0.39 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.044 1.307 . . . . 0.0 111.91 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -131.91 107.06 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.509 1.924 . . . . 0.0 108.345 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.0 m -110.5 134.39 52.41 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.287 1.035 . . . . 0.0 109.252 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 154.04 45.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.386 1.075 . . . . 0.0 110.903 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.41 111.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -138.11 157.01 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.37 1.468 . . . . 0.0 108.12 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.1 m -116.87 155.04 29.71 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.79 110.73 13.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.6 1.16 . . . . 0.0 109.633 -169.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.76 109.03 13.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.108 1.363 . . . . 0.0 110.562 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.88 127.11 30.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.696 1.198 . . . . 0.0 111.534 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.816 2.046 . . . . 0.0 111.412 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttp . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.01 39.62 3.91 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.045 1.338 . . . . 0.0 111.686 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 58.59 24.51 12.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.564 1.545 . . . . 0.0 114.191 -168.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 pt -104.05 20.66 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.655 1.982 . . . . 0.0 112.237 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 156.43 22.67 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.848 1.259 . . . . 0.0 111.524 175.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -168.0 24.13 Favored Glycine 0 N--CA 1.483 1.778 0 C-N-CA 124.325 0.964 . . . . 0.0 114.4 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -107.32 104.28 13.84 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.427 1.891 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 42' ' ' VAL . 10.7 m-30 -106.02 137.9 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.099 -163.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -134.56 156.78 48.06 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.749 0.704 . . . . 0.0 111.244 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.32 139.99 28.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.495 1.118 . . . . 0.0 111.541 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.16 32.68 0.9 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -157.39 -64.71 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.192 -0.942 . . . . 0.0 111.137 174.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p 48.55 116.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.461 2.304 . . . . 0.0 114.557 -158.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -161.67 139.69 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.408 -1.433 . . . . 0.0 109.304 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.58 16.75 0.68 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.926 1.29 . . . . 0.0 114.34 -166.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -50.78 72.0 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.713 0.805 . . . . 0.0 110.674 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.43 -24.68 46.85 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -87.08 -44.13 11.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.55 1.54 . . . . 0.0 112.238 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -60.49 -40.48 91.5 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.717 -1.24 . . . . 0.0 113.692 172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.25 -22.21 65.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.157 0.983 . . . . 0.0 112.978 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.65 -44.68 73.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.634 1.174 . . . . 0.0 110.698 166.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.89 35.58 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 113.078 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.89 -31.26 59.13 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.137 0.88 . . . . 0.0 113.082 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.36 4.08 71.4 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 124.389 0.995 . . . . 0.0 115.387 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.6 m -73.0 -178.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 126.651 1.98 . . . . 0.0 112.908 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.59 -162.35 10.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.47 1.51 . . . . 0.0 113.784 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.5 -38.27 43.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.038 1.335 . . . . 0.0 113.183 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.46 -19.39 15.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.287 1.435 . . . . 0.0 114.809 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -113.03 -23.97 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.015 1.326 . . . . 0.0 111.131 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.14 96.88 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.554 -1.341 . . . . 0.0 111.471 164.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.7 p -71.34 -28.12 63.85 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.444 1.098 . . . . 0.0 112.363 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -60.56 -14.95 23.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 169.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -34.54 68.37 Favored 'General case' 0 CA--C 1.553 1.075 0 O-C-N 120.473 -1.392 . . . . 0.0 112.061 165.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.21 -14.16 27.44 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.459 -1.401 . . . . 0.0 114.051 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.5 t -142.9 127.97 18.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.534 1.134 . . . . 0.0 111.65 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 36' ' ' LEU . 2.6 pt? -66.26 33.63 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 127.04 2.136 . . . . 0.0 116.395 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -44.44 -45.35 22.28 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 127.543 2.337 . . . . 0.0 115.556 164.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 32' ' ' ALA . 57.6 Cg_endo -76.24 127.45 9.86 Favored 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 122.392 2.062 . . . . 0.0 108.952 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 54' ' ' LEU . 98.1 m -119.24 159.88 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.883 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -138.64 114.74 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.951 1.7 . . . . 0.0 107.609 173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -90.06 132.97 35.11 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -127.35 121.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.69 102.56 8.12 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.378 1.071 . . . . 0.0 108.478 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.86 89.56 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.487 1.515 . . . . 0.0 107.598 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.21 134.27 42.3 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.15 80.88 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.344 -0.847 . . . . 0.0 112.096 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 164.0 -37.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.896 3.678 . . . . 0.0 111.622 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.54 160.62 34.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 113.182 -175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.57 136.56 48.75 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.698 0.799 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -122.0 102.83 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.485 1.514 . . . . 0.0 107.715 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -101.37 87.96 3.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.622 1.969 . . . . 0.0 109.922 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 126.38 34.48 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.389 1.075 . . . . 0.0 108.907 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 m -114.22 95.28 5.2 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.649 1.18 . . . . 0.0 108.352 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 39' ' ' THR . 5.3 mp -90.8 40.4 1.02 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.713 1.605 . . . . 0.0 110.848 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.2 p -128.59 -131.38 0.22 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.055 1.742 . . . . 0.0 109.18 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 p 38.5 44.18 0.73 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.811 2.044 . . . . 0.0 116.281 166.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -39.21 0.12 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.326 2.65 . . . . 0.0 115.396 -167.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 137.81 44.67 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.438 1.895 . . . . 0.0 111.606 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -62.93 153.22 34.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -151.39 138.41 19.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.814 1.245 . . . . 0.0 110.577 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 127.13 52.75 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.019 0.928 . . . . 0.0 110.147 173.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.2 132.15 44.49 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.648 1.179 . . . . 0.0 108.759 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -150.59 126.79 10.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.113 0.965 . . . . 0.0 111.067 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -161.24 -78.9 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.893 0.877 . . . . 0.0 110.854 -172.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.67 176.78 1.84 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.288 2.235 . . . . 0.0 110.976 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.18 136.29 34.48 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.75 1.22 . . . . 0.0 109.811 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.34 10.37 86.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.8 0.714 . . . . 0.0 113.329 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -50.7 142.93 10.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.824 0.85 . . . . 0.0 110.562 165.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.09 114.73 8.92 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.412 -0.805 . . . . 0.0 109.252 173.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.26 169.23 17.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.193 1.397 . . . . 0.0 110.695 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -143.98 93.08 2.4 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.139 1.376 . . . . 0.0 108.97 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -140.89 166.96 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.302 1.041 . . . . 0.0 111.53 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -60.47 102.19 0.17 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.795 1.238 . . . . 0.0 112.666 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -131.54 -178.42 4.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.52 2.328 . . . . 0.0 109.769 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 51.77 -143.92 0.63 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.129 0.971 . . . . 0.0 111.188 -173.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.34 -49.84 32.75 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.063 1.345 . . . . 0.0 112.438 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.72 50.0 0.03 OUTLIER Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.625 1.107 . . . . 0.0 112.215 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 127.91 42.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.918 1.287 . . . . 0.0 111.089 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -90.71 104.99 17.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.819 0.848 . . . . 0.0 110.44 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.19 165.28 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.719 1.207 . . . . 0.0 110.725 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.0 150.84 16.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.703 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -151.26 109.43 3.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.881 1.272 . . . . 0.0 109.2 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -138.31 131.9 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.246 1.418 . . . . 0.0 109.606 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.24 125.11 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.784 2.034 . . . . 0.0 107.279 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -143.65 148.95 36.56 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.889 0.876 . . . . 0.0 110.691 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.77 130.5 53.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.028 1.331 . . . . 0.0 109.48 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -107.18 107.56 18.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.73 1.612 . . . . 0.0 107.808 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.29 37.01 46.85 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.612 1.577 . . . . 0.0 116.135 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . 0.28 3.1 p30 47.41 41.57 12.85 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.481 1.512 . . . . 0.0 114.423 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -149.08 -39.45 0.15 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.267 1.027 . . . . 0.0 113.096 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -124.5 93.65 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.232 1.413 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.15 139.53 34.3 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.47 149.99 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.977 0.894 . . . . 0.0 111.91 168.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -132.12 142.96 49.68 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.994 2.118 . . . . 0.0 108.963 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.0 m -130.35 129.73 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -136.22 142.98 44.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.909 0.484 . . . . 0.0 111.763 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -81.79 25.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.369 1.068 . . . . 0.0 112.223 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -33.85 -51.18 0.63 Allowed Glycine 0 C--N 1.351 1.383 0 C-N-CA 128.093 2.759 . . . . 0.0 114.084 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.72 -33.29 2.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.227 1.411 . . . . 0.0 112.369 164.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 -37.89 0.08 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 160.41 77.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 128.838 2.855 . . . . 0.0 110.527 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.42 140.92 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.731 -0.606 . . . . 0.0 109.648 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -115.83 101.95 9.26 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.683 1.593 . . . . 0.0 110.054 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.78 112.97 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.9 146.16 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.174 1.389 . . . . 0.0 108.05 163.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -145.3 104.57 3.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.224 1.81 . . . . 0.0 109.937 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -104.57 127.0 52.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 113' ' ' VAL . 44.5 t80 -57.35 128.75 38.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.235 2.214 . . . . 0.0 112.184 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -114.45 -39.65 3.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.686 0.794 . . . . 0.0 112.75 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 162.59 -62.13 0.27 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 124.07 0.843 . . . . 0.0 113.324 172.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.24 -17.74 15.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.505 1.522 . . . . 0.0 111.258 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -141.75 179.22 6.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.411 2.284 . . . . 0.0 111.496 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 108' ' ' PHE . 2.4 t -140.53 142.87 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.873 2.069 . . . . 0.0 109.679 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.67 104.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.929 1.292 . . . . 0.0 111.017 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.5 t -79.47 136.83 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.47 -0.769 . . . . 0.0 109.309 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.0 m -134.21 100.26 4.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.972 1.709 . . . . 0.0 108.276 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -98.15 95.56 7.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.818 0.735 . . . . 0.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 t -107.54 109.85 21.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.325 1.45 . . . . 0.0 111.032 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.43 -161.36 0.84 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.48 1.512 . . . . 0.0 110.957 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.29 -43.32 10.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.67 1.988 . . . . 0.0 115.059 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.91 34.23 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.449 1.499 . . . . 0.0 112.159 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.9 t -134.08 110.7 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 127.248 2.219 . . . . 0.0 107.915 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 28.8 m -117.78 115.96 26.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.023 0.929 . . . . 0.0 109.089 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.42 160.49 15.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.52 111.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.932 0.893 . . . . 0.0 109.267 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -143.26 113.09 7.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.761 0.824 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 35.3 m -63.92 147.07 52.85 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.013 -1.055 . . . . 0.0 110.236 170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.95 146.14 45.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.576 1.151 . . . . 0.0 109.169 171.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 135.11 50.22 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.987 1.315 . . . . 0.0 111.359 175.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.58 127.41 34.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.445 . . . . 0.0 113.081 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.256 1.417 0 C-N-CA 126.744 2.017 . . . . 0.0 111.268 -179.482 . . . . . . . . 0 0 . 1 stop_ save_