data_1nvo_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 1nvo _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.562 0.22 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.485 ' HB3' ' CD2' ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 13' ' ' LEU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.617 0.246 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.828 0.346 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 120.809 0.338 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 20' ' ' ALA . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.421 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.526 0.679 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CD1' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.443 -0.803 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.422 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.228 -0.067 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.044 0.449 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.445 0.64 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.58 -87.03 0.63 Allowed 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.82 -26.87 2.63 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.66 -8.46 10.9 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -169.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -57.08 -40.17 76.4 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 117.764 -1.575 . . . . 0.0 109.582 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -87.78 -21.41 25.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.116 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.75 -22.55 18.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t -148.3 -51.01 0.17 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 45.59 63.82 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 126.447 1.899 . . . . 0.0 110.259 173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 tp 72.53 -54.14 0.69 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.662 1.985 . . . . 0.0 110.934 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.28 120.32 3.09 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 O-C-N 122.241 -0.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -51.28 -49.06 61.97 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.012 0.525 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -46.03 -45.24 15.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.142 0.977 . . . . 0.0 110.905 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp 40.17 48.2 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -43.9 64.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.165 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.43 177.19 37.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 CA-C-N 116.95 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.117 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -84.1 -11.89 55.93 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -19.1 -55.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 129.236 3.014 . . . . 0.0 114.303 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.65 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.584 -0.697 . . . . 0.0 112.375 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -64.48 -19.37 65.52 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.245 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.74 -42.03 86.88 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.19 37.51 1.17 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.114 -0.366 . . . . 0.0 110.316 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -47.27 59.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 tt -26.25 -58.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.454 1.502 . . . . 0.0 115.011 171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -170.71 134.02 1.02 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.37 174.17 37.05 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.64 -49.08 76.58 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -26.81 -69.76 0.04 OUTLIER 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.295 2.238 . . . . 0.0 111.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.485 ' HB3' ' CD2' ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 36.21 66.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 65.83 32.07 9.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.314 1.446 . . . . 0.0 112.258 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.89 43.22 1.44 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.082 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -26.2 -58.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.718 2.407 . . . . 0.0 113.177 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.27 -22.74 63.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -129.83 -23.42 2.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -55.41 -38.12 68.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 120.219 1.372 . . . . 0.0 109.976 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -92.8 0.64 57.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.63 -19.0 5.94 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.496 0.718 . . . . 0.0 111.807 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 13' ' ' LEU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -44.14 5.01 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.267 4.3 tp 35.67 67.55 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.521 2.329 . . . . 0.0 113.173 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.87 16.2 3.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.426 1.89 . . . . 0.0 113.87 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.98 -148.88 5.26 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 117.169 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.63 -53.49 2.74 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.39 1.476 . . . . 0.0 114.004 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -61.8 -42.08 98.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.718 0.807 . . . . 0.0 110.425 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 tp -33.81 -47.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.3 -44.79 8.98 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.08 -61.58 3.41 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 121.98 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -34.47 -58.64 0.48 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -49.44 -51.4 35.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.292 1.037 . . . . 0.0 110.346 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.8 mt -81.99 3.28 27.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.904 0.881 . . . . 0.0 112.965 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -102.76 -12.62 17.49 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.061 0.846 . . . . 0.0 110.218 166.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.59 -63.33 1.17 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.67 33.97 0.48 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 109.241 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 -40.29 6.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.87 -41.25 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 tp -113.31 -63.84 1.39 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.15 -77.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.262 0.934 . . . . 0.0 111.654 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.196 0 O-C-N 122.046 -0.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -45.97 -52.74 11.18 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.061 0.944 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -50.31 -48.09 55.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.302 1.041 . . . . 0.0 111.569 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp -49.7 -40.04 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.63 -138.47 0.25 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.817 0.847 . . . . 0.0 111.321 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.55 -63.53 4.43 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 120.63 -1.294 . . . . 0.0 110.67 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 117.442 0.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.238 0.491 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.74 -89.25 0.11 Allowed 'General case' 0 C--N 1.3 -1.573 0 O-C-N 117.516 -3.24 . . . . 0.0 111.448 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -62.67 -49.52 74.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.844 1.307 . . . . 0.0 109.564 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -18.47 64.2 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.033 -172.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' CZ ' ' O ' ' A' ' 0' ' ' ACE . 66.6 mtm180 -52.14 -41.38 62.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.912 0.778 . . . . 0.0 110.551 173.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.25 -6.2 58.6 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.363 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -123.9 20.56 9.2 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.711 0.804 . . . . 0.0 110.22 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -152.71 -46.43 0.1 Allowed 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 tp 41.7 62.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 126.952 2.101 . . . . 0.0 110.029 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.87 79.8 0.25 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.455 1.121 . . . . 0.0 108.194 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.91 117.62 6.25 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 CA-C-N 117.224 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -41.85 -62.88 0.82 Allowed 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.215 1.406 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -55.49 -54.54 42.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.137 0.575 . . . . 0.0 111.409 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 20' ' ' ALA . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.421 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp 39.8 49.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.37 82.59 2.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.9 173.27 21.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 O-C-N 122.433 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.177 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -28.02 -64.01 0.09 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.164 2.586 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -58.09 -20.7 41.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.85 1.26 . . . . 0.0 113.986 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.61 -30.18 5.56 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.162 0.892 . . . . 0.0 111.405 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -52.75 -41.29 63.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 120.293 -1.505 . . . . 0.0 109.342 167.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -90.63 -28.72 18.22 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.917 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.61 34.06 5.32 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 118.05 0.386 . . . . 0.0 110.28 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -35.98 58.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.03 -30.34 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.214 -159.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 tt -146.64 75.35 1.39 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.85 -27.99 72.02 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 O-C-N 121.728 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.71 -54.51 41.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -55.01 -48.1 73.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.403 1.081 . . . . 0.0 110.863 -173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp -27.28 111.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -107.21 148.17 29.24 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.42 -56.75 4.89 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.075 0 CA-C-N 117.611 0.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.059 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -2.68 17.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -20.01 -57.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.334 3.054 . . . . 0.0 114.565 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.28 -56.65 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.507 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -74.73 3.17 8.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.605 -0.712 . . . . 0.0 111.578 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.23 -66.13 0.92 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.308 0.958 . . . . 0.0 108.691 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -48.4 -39.93 24.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.117 0.871 . . . . 0.0 109.709 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.23 -48.85 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.304 5.3 tp 47.52 37.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.373 1.869 . . . . 0.0 111.738 167.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -138.36 75.22 1.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.6 -56.73 4.18 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 117.461 0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.38 -52.38 61.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -46.06 -43.88 14.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.725 1.21 . . . . 0.0 112.227 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp 43.69 -136.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt 41.25 39.75 1.03 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.944 1.698 . . . . 0.0 113.789 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 68.08 2.69 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.424 ' CH3' ' HG3' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.01 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -34.3 7.29 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 125.595 1.809 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.4 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -84.65 -56.45 3.59 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 124.361 1.038 . . . . 0.0 113.207 174.359 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 6' ' ' LEU 0.417 0.2 OUTLIER -164.12 66.61 0.16 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.103 1.761 . . . . 0.0 109.835 179.684 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HG3' ' CH3' ' A' ' 0' ' ' ACE 0.391 11.2 ptt180 -153.89 -7.65 0.16 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.512 -1.367 . . . . 0.0 113.057 151.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -39.4 54.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -72.87 14.58 0.26 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.32 1.048 . . . . 0.0 112.516 -175.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -44.28 -45.97 8.91 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 tt -48.14 -52.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 128.783 2.833 . . . . 0.0 115.105 -162.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -145.47 83.02 1.65 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.86 -171.88 38.0 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 107.313 -2.315 . . . . 0.0 107.313 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 117.006 0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.1 -48.88 64.53 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 122.95 0.5 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.14 -49.49 32.11 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 125.802 1.641 . . . . 0.0 111.751 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CD1' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 46.26 37.88 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -15.1 39.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.404 -0.81 . . . . 0.0 111.662 -171.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 -93.77 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 CA-C-N 117.478 0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.675 ' O ' ' HB2' ' A' ' 1' ' ' ASP . . . . . . . . 0 C--O 1.223 -0.332 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.675 ' HB2' ' O ' ' A' ' 0' ' ' ACE . 23.9 t70 165.61 -43.48 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.405 0 O-C-N 118.177 -2.827 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -84.7 -56.04 3.8 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 154.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.77 -14.23 42.46 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -49.76 -39.97 39.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.496 1.044 . . . . 0.0 111.606 170.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.87 4.54 25.12 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 111.013 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -126.53 39.99 3.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.215 1.406 . . . . 0.0 108.623 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -154.59 -44.23 0.09 Allowed 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 tp 44.56 45.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 126.48 1.912 . . . . 0.0 110.76 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.01 95.23 9.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.413 -0.805 . . . . 0.0 109.051 -170.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.73 34.41 2.41 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 CA-C-N 117.24 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.61 -63.68 0.39 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.015 2.126 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -50.98 -47.3 61.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.22 1.008 . . . . 0.0 112.017 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp 37.88 63.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp 57.66 65.81 1.26 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.516 0.726 . . . . 0.0 109.741 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.2 70.73 0.8 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.899 -0.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.52 -23.06 64.27 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -10.46 -53.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.931 2.492 . . . . 0.0 113.759 155.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mp -49.68 -31.84 11.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.353 0.979 . . . . 0.0 113.47 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -46.42 -38.45 9.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.048 0.939 . . . . 0.0 111.241 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.26 -26.33 65.62 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 110.199 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -95.43 1.02 53.97 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.334 1.054 . . . . 0.0 110.059 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.86 -28.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 tp -55.55 98.15 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.285 0.564 . . . . 0.0 110.822 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 65.68 164.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.764 1.626 . . . . 0.0 110.969 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.76 174.22 45.15 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 117.265 0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -49.99 -60.99 2.41 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.707 0.803 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -36.27 -55.03 0.81 Allowed 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 126.169 1.788 . . . . 0.0 111.129 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 48.81 36.67 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 tp -30.53 -56.31 0.2 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.589 2.356 . . . . 0.0 114.243 -170.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.21 63.07 0.32 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 108.194 -1.962 . . . . 0.0 108.194 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 O-C-N 122.603 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -155.67 -65.61 0.12 Allowed 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 128.389 2.676 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -22.36 -49.38 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 130.044 3.338 . . . . 0.0 113.802 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 mt -130.39 -30.4 1.92 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.034 0.934 . . . . 0.0 112.265 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -55.18 -27.16 43.77 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.043 -1.036 . . . . 0.0 111.66 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -108.46 -28.88 9.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.244 0.618 . . . . 0.0 110.537 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.86 37.97 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.862 0.755 . . . . 0.0 111.434 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -47.02 -44.16 20.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 tt -39.88 -45.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 127.944 2.497 . . . . 0.0 113.859 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -74.67 99.72 3.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.05 83.45 0.0 OUTLIER Glycine 0 CA--C 1.529 0.944 0 C-N-CA 127.228 2.347 . . . . 0.0 114.551 -171.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.923 0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -144.13 -60.64 0.39 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.507 1.123 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -26.9 -67.0 0.06 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 127.062 2.145 . . . . 0.0 112.345 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp 44.56 48.66 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 60.01 3.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 110.072 -173.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.57 66.68 0.03 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 122.58 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.211 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -97.17 -67.05 0.86 Allowed 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.83 -62.05 0.58 Allowed 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.84 1.256 . . . . 0.0 111.044 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 0.4 OUTLIER -88.95 40.42 0.98 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.209 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -50.21 60.06 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 172.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -114.36 -25.06 8.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.042 0.937 . . . . 0.0 111.693 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.51 2.83 2.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.366 1.066 . . . . 0.0 112.032 -166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t -146.17 -54.15 0.26 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.295 10.6 tp 57.2 157.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.946 2.898 . . . . 0.0 112.03 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.53 77.3 1.06 Allowed 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.05 -1.656 . . . . 0.0 107.497 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.7 -49.93 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.048 0 CA-C-N 117.485 0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.0 -52.97 17.72 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.875 0.87 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.32 -48.27 71.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.444 0.698 . . . . 0.0 110.23 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp 43.51 50.27 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -50.85 127.66 19.06 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.8 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.66 -45.96 1.14 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -171.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.015 0 CA-C-N 117.198 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.095 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.21 -44.12 32.67 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.649 0.78 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -41.82 -44.15 3.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.567 1.547 . . . . 0.0 112.14 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.43 -48.24 82.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.022 -0.424 . . . . 0.0 110.788 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -63.48 -16.81 61.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.862 -0.589 . . . . 0.0 111.543 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.65 -64.04 1.21 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.93 11.52 1.07 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.618 1.567 . . . . 0.0 112.263 -174.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 -19.21 15.87 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 tp -43.59 101.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 126.567 1.947 . . . . 0.0 111.11 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 -53.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.02 -41.49 1.78 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.64 -96.05 0.32 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.658 1.983 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -35.6 -52.71 0.68 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.457 1.903 . . . . 0.0 112.916 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -43.87 114.74 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.2 55.66 3.6 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.143 -0.973 . . . . 0.0 109.48 170.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.0 -148.84 45.55 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 121.853 -0.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.13 -55.23 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.164 0.986 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -56.26 -29.1 60.63 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.733 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.9 mt -68.24 -12.23 60.65 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.586 0.63 . . . . 0.0 112.208 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -72.6 -26.49 61.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.097 0.862 . . . . 0.0 111.208 169.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -84.13 -172.38 4.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt 55.48 27.45 10.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.681 0.792 . . . . 0.0 112.16 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.27 -28.32 3.11 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 tt -51.03 -29.19 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.254 1.021 . . . . 0.0 113.318 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.37 -70.08 0.11 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.254 1.821 . . . . 0.0 110.984 -176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.37 -65.87 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.069 0 O-C-N 122.14 -0.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -53.94 52.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -45.06 -46.04 11.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.263 1.025 . . . . 0.0 110.515 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp 45.59 55.59 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.39 86.04 0.42 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.251 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.26 -65.16 0.05 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.086 0 O-C-N 122.566 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.4 mp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 44' ' ' GLU . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' N ' HD12 ' A' ' 7' ' ' LEU . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HA ' HD11 ' B' ' 6' ' ' LEU . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' B' ' 32' ' ' ILE . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 7' ' ' LEU . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 17' ' ' TYR . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 39' ' ' HIS . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.63 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' B' ' 17' ' ' TYR . 97.8 mt . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.562 0.22 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.701 HD11 ' CB ' ' A' ' 20' ' ' ALA . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HB3' HD22 ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.1 mp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' B' ' 10' ' ' GLU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.66 ' CB ' HD21 ' B' ' 6' ' ' LEU . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.552 ' N ' HD12 ' A' ' 33' ' ' LEU . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.617 0.246 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.66 HD21 ' CB ' ' A' ' 20' ' ' ALA . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.48 HD13 HD11 ' B' ' 40' ' ' ILE . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' B' ' 13' ' ' LEU . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.498 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.48 HD11 HD13 ' B' ' 14' ' ' ILE . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.3 mp . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 40' ' ' ILE . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 30' ' ' ALA . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.828 0.346 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.462 HD13 HD11 ' B' ' 40' ' ' ILE . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.547 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.559 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.548 ' N ' HD12 ' B' ' 33' ' ' LEU . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.462 HD11 HD13 ' B' ' 14' ' ' ILE . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' B' ' 17' ' ' TYR . 52.6 mt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CD1' HD21 ' B' ' 13' ' ' LEU . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 29' ' ' LEU . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' HD12 ' A' ' 29' ' ' LEU . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 120.809 0.338 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' B' ' 9' ' ' LEU . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.583 ' N ' HD12 ' B' ' 6' ' ' LEU . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.703 HD21 ' HG3' ' B' ' 44' ' ' GLU . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 5' ' ' GLU . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 13' ' ' LEU . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' HD22 ' A' ' 6' ' ' LEU . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.594 ' O ' HG23 ' B' ' 24' ' ' VAL . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.673 HG11 HD12 ' B' ' 29' ' ' LEU . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.442 ' HB2' HG12 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.673 HD12 HG11 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.614 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.561 ' N ' HD12 ' B' ' 33' ' ' LEU . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.703 ' HG3' HD21 ' B' ' 7' ' ' LEU . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' ' 20' ' ' ALA . 4.2 mp . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 44' ' ' GLU . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 13' ' ' LEU . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' GLU . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.652 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 29' ' ' LEU . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' B' ' 32' ' ' ILE . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.552 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.526 0.679 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 20' ' ' ALA . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.538 ' CD2' HD11 ' A' ' 13' ' ' LEU . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' B' ' 30' ' ' ALA . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' B' ' 21' ' ' LEU . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.599 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.433 ' N ' HD12 ' B' ' 33' ' ' LEU . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' TRP . . . . . 0.442 ' CH2' HD21 ' A' ' 26' ' ' LEU . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' B' ' 20' ' ' ALA . 6.0 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 20' ' ' ALA . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.505 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.596 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.442 HD21 HD11 ' B' ' 13' ' ' LEU . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' A' ' 20' ' ' ALA . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 13' ' ' LEU . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' B' ' 17' ' ' TYR . 91.2 mt . . . . . 0 N--CA 1.443 -0.803 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 13' ' ' LEU . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.467 HD11 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.787 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' B' ' 25' ' ' LYS . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' B' ' 24' ' ' VAL . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.605 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' B' ' 20' ' ' ALA . 5.9 mp . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 13' ' ' LEU . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' B' ' 10' ' ' GLU . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CH2' ' B' ' 42' ' ' TRP . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.228 -0.067 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 13' ' ' LEU . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.706 ' CB ' HD11 ' A' ' 6' ' ' LEU . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' TRP . . . . . 0.441 ' CH2' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' OE1' HD13 ' B' ' 13' ' ' LEU . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 13' ' ' LEU . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 20' ' ' ALA . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 44' ' ' GLU . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 13' ' ' LEU . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.585 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.473 ' CG ' HD11 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD21 ' CB ' ' B' ' 20' ' ' ALA . 3.8 mp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' B' ' 6' ' ' LEU . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.044 0.449 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 33' ' ' LEU . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.454 ' HB3' HD22 ' B' ' 33' ' ' LEU . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.661 ' CB ' HD21 ' A' ' 6' ' ' LEU . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.617 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' B' ' 20' ' ' ALA . 7.0 mp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.613 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 34' ' ' GLU 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.477 ' N ' HD12 ' B' ' 33' ' ' LEU . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 43' ' ' LEU . 50.0 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' B' ' 13' ' ' LEU . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.445 0.64 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 13' ' ' LEU . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD22 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.417 HD12 ' C ' ' B' ' 33' ' ' LEU 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.58 -87.03 0.63 Allowed 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.415 ' O ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -48.82 -26.87 2.63 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.66 -8.46 10.9 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -169.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -57.08 -40.17 76.4 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 117.764 -1.575 . . . . 0.0 109.582 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -87.78 -21.41 25.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.116 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.4 mp -94.75 -22.55 18.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 44' ' ' GLU . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' N ' HD12 ' A' ' 7' ' ' LEU . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HA ' HD11 ' B' ' 6' ' ' LEU . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' B' ' 32' ' ' ILE . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 7' ' ' LEU . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t -148.3 -51.01 0.17 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 45.59 63.82 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 126.447 1.899 . . . . 0.0 110.259 173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 tp 72.53 -54.14 0.69 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.662 1.985 . . . . 0.0 110.934 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.28 120.32 3.09 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 O-C-N 122.241 -0.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -51.28 -49.06 61.97 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.012 0.525 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -46.03 -45.24 15.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.142 0.977 . . . . 0.0 110.905 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 17' ' ' TYR . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 39' ' ' HIS . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.63 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp 40.17 48.2 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -43.9 64.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.165 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.43 177.19 37.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 CA-C-N 116.95 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -84.1 -11.89 55.93 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -19.1 -55.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 129.236 3.014 . . . . 0.0 114.303 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.65 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.584 -0.697 . . . . 0.0 112.375 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -64.48 -19.37 65.52 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.245 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.74 -42.03 86.88 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' B' ' 17' ' ' TYR . 97.8 mt -95.19 37.51 1.17 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.114 -0.366 . . . . 0.0 110.316 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -47.27 59.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 47' ' ' LEU . 1.3 tt -26.25 -58.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.454 1.502 . . . . 0.0 115.011 171.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 46' ' ' ILE . 2.5 tt -170.71 134.02 1.02 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.37 174.17 37.05 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.64 -49.08 76.58 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -26.81 -69.76 0.04 OUTLIER 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.295 2.238 . . . . 0.0 111.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.701 HD11 ' CB ' ' A' ' 20' ' ' ALA . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HB3' HD22 ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 36.21 66.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 65.83 32.07 9.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.314 1.446 . . . . 0.0 112.258 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.89 43.22 1.44 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -26.2 -58.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.718 2.407 . . . . 0.0 113.177 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.529 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 t80 -60.27 -22.74 63.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -169.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -129.83 -23.42 2.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -55.41 -38.12 68.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 120.219 1.372 . . . . 0.0 109.976 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' LEU . 41.2 mp0 -92.8 0.64 57.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.1 mp -123.63 -19.0 5.94 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.496 0.718 . . . . 0.0 111.807 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' B' ' 10' ' ' GLU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.66 ' CB ' HD21 ' B' ' 6' ' ' LEU . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.552 ' N ' HD12 ' A' ' 33' ' ' LEU . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -44.14 5.01 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.267 4.3 tp 35.67 67.55 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.521 2.329 . . . . 0.0 113.173 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.87 16.2 3.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.426 1.89 . . . . 0.0 113.87 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.98 -148.88 5.26 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 117.169 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.63 -53.49 2.74 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.39 1.476 . . . . 0.0 114.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -61.8 -42.08 98.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.718 0.807 . . . . 0.0 110.425 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.66 HD21 ' CB ' ' A' ' 20' ' ' ALA . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.48 HD13 HD11 ' B' ' 40' ' ' ILE . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' B' ' 13' ' ' LEU . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.498 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.48 HD11 HD13 ' B' ' 14' ' ' ILE . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.4 HG23 ' N ' ' B' ' 47' ' ' LEU . 9.4 tp -33.81 -47.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 46' ' ' ILE . 8.2 tp -91.3 -44.79 8.98 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.08 -61.58 3.41 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 121.98 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -34.47 -58.64 0.48 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -49.44 -51.4 35.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.292 1.037 . . . . 0.0 110.346 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.8 mt -81.99 3.28 27.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.904 0.881 . . . . 0.0 112.965 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -102.76 -12.62 17.49 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.061 0.846 . . . . 0.0 110.218 166.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.59 -63.33 1.17 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.3 mp -83.67 33.97 0.48 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 109.241 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 40' ' ' ILE . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 30' ' ' ALA . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 -40.29 6.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.87 -41.25 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 tp -113.31 -63.84 1.39 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.15 -77.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.262 0.934 . . . . 0.0 111.654 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.196 0 O-C-N 122.046 -0.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -45.97 -52.74 11.18 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.061 0.944 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -50.31 -48.09 55.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.302 1.041 . . . . 0.0 111.569 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.462 HD13 HD11 ' B' ' 40' ' ' ILE . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.547 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.559 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.548 ' N ' HD12 ' B' ' 33' ' ' LEU . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.462 HD11 HD13 ' B' ' 14' ' ' ILE . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp -49.7 -40.04 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.63 -138.47 0.25 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.817 0.847 . . . . 0.0 111.321 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.55 -63.53 4.43 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 120.63 -1.294 . . . . 0.0 110.67 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 117.442 0.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.238 0.491 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.74 -89.25 0.11 Allowed 'General case' 0 C--N 1.3 -1.573 0 O-C-N 117.516 -3.24 . . . . 0.0 111.448 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.861 ' CD1' HG22 ' B' ' 24' ' ' VAL . 31.8 p90 -62.67 -49.52 74.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.844 1.307 . . . . 0.0 109.564 -169.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -18.47 64.2 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.033 -172.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' CZ ' ' O ' ' A' ' 0' ' ' ACE . 66.6 mtm180 -52.14 -41.38 62.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.912 0.778 . . . . 0.0 110.551 173.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.25 -6.2 58.6 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.363 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' B' ' 17' ' ' TYR . 52.6 mt -123.9 20.56 9.2 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.711 0.804 . . . . 0.0 110.22 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CD1' HD21 ' B' ' 13' ' ' LEU . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 29' ' ' LEU . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' HD12 ' A' ' 29' ' ' LEU . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -152.71 -46.43 0.1 Allowed 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 tp 41.7 62.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 126.952 2.101 . . . . 0.0 110.029 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.87 79.8 0.25 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.455 1.121 . . . . 0.0 108.194 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.91 117.62 6.25 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 CA-C-N 117.224 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -41.85 -62.88 0.82 Allowed 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.215 1.406 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -55.49 -54.54 42.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.137 0.575 . . . . 0.0 111.409 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' B' ' 9' ' ' LEU . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.583 ' N ' HD12 ' B' ' 6' ' ' LEU . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.703 HD21 ' HG3' ' B' ' 44' ' ' GLU . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 5' ' ' GLU . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 13' ' ' LEU . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' HD22 ' A' ' 6' ' ' LEU . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.594 ' O ' HG23 ' B' ' 24' ' ' VAL . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 2' ' ' TYR . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.442 ' HB2' HG12 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.673 HD12 HG11 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.614 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.561 ' N ' HD12 ' B' ' 33' ' ' LEU . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.703 ' HG3' HD21 ' B' ' 7' ' ' LEU . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp 39.8 49.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.37 82.59 2.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.9 173.27 21.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 O-C-N 122.433 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -28.02 -64.01 0.09 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.164 2.586 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -58.09 -20.7 41.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.85 1.26 . . . . 0.0 113.986 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.61 -30.18 5.56 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.162 0.892 . . . . 0.0 111.405 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -52.75 -41.29 63.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 120.293 -1.505 . . . . 0.0 109.342 167.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -90.63 -28.72 18.22 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.917 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' ' 20' ' ' ALA . 4.2 mp -117.61 34.06 5.32 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 118.05 0.386 . . . . 0.0 110.28 -176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 44' ' ' GLU . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 13' ' ' LEU . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' GLU . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.652 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 29' ' ' LEU . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' B' ' 32' ' ' ILE . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.552 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -35.98 58.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.03 -30.34 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.214 -159.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 tt -146.64 75.35 1.39 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.85 -27.99 72.02 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 O-C-N 121.728 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.71 -54.51 41.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -55.01 -48.1 73.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.403 1.081 . . . . 0.0 110.863 -173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 20' ' ' ALA . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.538 ' CD2' HD11 ' A' ' 13' ' ' LEU . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' B' ' 30' ' ' ALA . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' B' ' 21' ' ' LEU . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.599 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.433 ' N ' HD12 ' B' ' 33' ' ' LEU . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' TRP . . . . . 0.442 ' CH2' HD21 ' A' ' 26' ' ' LEU . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp -27.28 111.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -107.21 148.17 29.24 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.42 -56.75 4.89 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.075 0 CA-C-N 117.611 0.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -2.68 17.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -20.01 -57.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.334 3.054 . . . . 0.0 114.565 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.28 -56.65 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.507 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -74.73 3.17 8.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.605 -0.712 . . . . 0.0 111.578 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.23 -66.13 0.92 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.308 0.958 . . . . 0.0 108.691 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' B' ' 20' ' ' ALA . 6.0 mp -48.4 -39.93 24.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.117 0.871 . . . . 0.0 109.709 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.23 -48.85 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.304 5.3 tp 47.52 37.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.373 1.869 . . . . 0.0 111.738 167.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -138.36 75.22 1.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.6 -56.73 4.18 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 117.461 0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.38 -52.38 61.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -46.06 -43.88 14.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.725 1.21 . . . . 0.0 112.227 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 20' ' ' ALA . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.505 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.596 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp 43.69 -136.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt 41.25 39.75 1.03 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.944 1.698 . . . . 0.0 113.789 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 68.08 2.69 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.631 ' H3 ' ' CG ' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -34.3 7.29 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 125.595 1.809 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' O ' ' HB1' ' B' ' 20' ' ' ALA . 0.8 OUTLIER -84.65 -56.45 3.59 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 124.361 1.038 . . . . 0.0 113.207 174.359 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 6' ' ' LEU 0.417 0.2 OUTLIER -164.12 66.61 0.16 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.103 1.761 . . . . 0.0 109.835 179.684 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.631 ' CG ' ' H3 ' ' A' ' 0' ' ' ACE 0.391 11.2 ptt180 -153.89 -7.65 0.16 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.512 -1.367 . . . . 0.0 113.057 151.55 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -39.4 54.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -72.87 14.58 0.26 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.32 1.048 . . . . 0.0 112.516 -175.451 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD21 HD11 ' B' ' 13' ' ' LEU . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -44.28 -45.97 8.91 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' H ' HG22 ' A' ' 46' ' ' ILE . 1.6 tt -48.14 -52.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 128.783 2.833 . . . . 0.0 115.105 -162.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -145.47 83.02 1.65 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.86 -171.88 38.0 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 107.313 -2.315 . . . . 0.0 107.313 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 117.006 0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.1 -48.88 64.53 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 122.95 0.5 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.14 -49.49 32.11 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 125.802 1.641 . . . . 0.0 111.751 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' A' ' 20' ' ' ALA . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 13' ' ' LEU . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB1' ' O ' ' A' ' 2' ' ' TYR . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.58 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 46.26 37.88 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -15.1 39.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.404 -0.81 . . . . 0.0 111.662 -171.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 -93.77 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 CA-C-N 117.478 0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.611 ' O ' ' HB2' ' A' ' 1' ' ' ASP . . . . . . . . 0 C--O 1.223 -0.332 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 0' ' ' ACE . 23.9 t70 165.61 -43.48 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.405 0 O-C-N 118.177 -2.827 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -84.7 -56.04 3.8 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 154.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.77 -14.23 42.46 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -49.76 -39.97 39.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.496 1.044 . . . . 0.0 111.606 170.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.87 4.54 25.12 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 111.013 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' B' ' 17' ' ' TYR . 91.2 mt -126.53 39.99 3.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.215 1.406 . . . . 0.0 108.623 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 13' ' ' LEU . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -154.59 -44.23 0.09 Allowed 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 tp 44.56 45.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 126.48 1.912 . . . . 0.0 110.76 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.01 95.23 9.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.413 -0.805 . . . . 0.0 109.051 -170.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.73 34.41 2.41 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 CA-C-N 117.24 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.61 -63.68 0.39 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.015 2.126 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -50.98 -47.3 61.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.22 1.008 . . . . 0.0 112.017 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.467 HD11 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.787 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' B' ' 25' ' ' LYS . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' B' ' 24' ' ' VAL . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.605 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp 37.88 63.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp 57.66 65.81 1.26 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.516 0.726 . . . . 0.0 109.741 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.2 70.73 0.8 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.899 -0.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.52 -23.06 64.27 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' B' ' 20' ' ' ALA . 0.1 OUTLIER -10.46 -53.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.931 2.492 . . . . 0.0 113.759 155.15 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 3.5 mp -49.68 -31.84 11.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.353 0.979 . . . . 0.0 113.47 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -46.42 -38.45 9.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.048 0.939 . . . . 0.0 111.241 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' HB2' HD12 ' A' ' 6' ' ' LEU . 52.0 mt-10 -68.26 -26.33 65.62 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 110.199 -175.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' B' ' 20' ' ' ALA . 5.9 mp -95.43 1.02 53.97 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.334 1.054 . . . . 0.0 110.059 -172.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 13' ' ' LEU . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' B' ' 10' ' ' GLU . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CH2' ' B' ' 42' ' ' TRP . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.86 -28.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 tp -55.55 98.15 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.285 0.564 . . . . 0.0 110.822 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 65.68 164.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.764 1.626 . . . . 0.0 110.969 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.76 174.22 45.15 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 117.265 0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -49.99 -60.99 2.41 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.707 0.803 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -36.27 -55.03 0.81 Allowed 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 126.169 1.788 . . . . 0.0 111.129 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 13' ' ' LEU . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.706 ' CB ' HD11 ' A' ' 6' ' ' LEU . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' TRP . . . . . 0.441 ' CH2' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 48.81 36.67 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 tp -30.53 -56.31 0.2 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.589 2.356 . . . . 0.0 114.243 -170.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.21 63.07 0.32 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 108.194 -1.962 . . . . 0.0 108.194 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 O-C-N 122.603 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -155.67 -65.61 0.12 Allowed 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 128.389 2.676 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -22.36 -49.38 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 130.044 3.338 . . . . 0.0 113.802 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 mt -130.39 -30.4 1.92 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.034 0.934 . . . . 0.0 112.265 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -55.18 -27.16 43.77 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.043 -1.036 . . . . 0.0 111.66 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -108.46 -28.88 9.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.244 0.618 . . . . 0.0 110.537 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.86 37.97 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.862 0.755 . . . . 0.0 111.434 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' OE1' HD13 ' B' ' 13' ' ' LEU . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 13' ' ' LEU . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -47.02 -44.16 20.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 tt -39.88 -45.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 127.944 2.497 . . . . 0.0 113.859 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -74.67 99.72 3.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.05 83.45 0.0 OUTLIER Glycine 0 CA--C 1.529 0.944 0 C-N-CA 127.228 2.347 . . . . 0.0 114.551 -171.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.923 0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -144.13 -60.64 0.39 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.507 1.123 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -26.9 -67.0 0.06 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 127.062 2.145 . . . . 0.0 112.345 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 20' ' ' ALA . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 44' ' ' GLU . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 13' ' ' LEU . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.585 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.473 ' CG ' HD11 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp 44.56 48.66 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 60.01 3.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 110.072 -173.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.57 66.68 0.03 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 122.58 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.211 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -97.17 -67.05 0.86 Allowed 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HD1' ' HB1' ' B' ' 20' ' ' ALA . 0.8 OUTLIER -37.83 -62.05 0.58 Allowed 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.84 1.256 . . . . 0.0 111.044 176.039 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 0.4 OUTLIER -88.95 40.42 0.98 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.209 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -50.21 60.06 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 172.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -114.36 -25.06 8.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.042 0.937 . . . . 0.0 111.693 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD21 ' CB ' ' B' ' 20' ' ' ALA . 3.8 mp -69.51 2.83 2.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.366 1.066 . . . . 0.0 112.032 -166.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' B' ' 6' ' ' LEU . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t -146.17 -54.15 0.26 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.295 10.6 tp 57.2 157.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.946 2.898 . . . . 0.0 112.03 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.53 77.3 1.06 Allowed 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.05 -1.656 . . . . 0.0 107.497 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.7 -49.93 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.048 0 CA-C-N 117.485 0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.0 -52.97 17.72 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.875 0.87 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.32 -48.27 71.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.444 0.698 . . . . 0.0 110.23 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 33' ' ' LEU . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.454 ' HB3' HD22 ' B' ' 33' ' ' LEU . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.661 ' CB ' HD21 ' A' ' 6' ' ' LEU . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 2' ' ' TYR . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.617 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp 43.51 50.27 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -50.85 127.66 19.06 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.8 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.66 -45.96 1.14 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -171.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.015 0 CA-C-N 117.198 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.21 -44.12 32.67 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.649 0.78 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -41.82 -44.15 3.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.567 1.547 . . . . 0.0 112.14 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.43 -48.24 82.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.022 -0.424 . . . . 0.0 110.788 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -63.48 -16.81 61.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.862 -0.589 . . . . 0.0 111.543 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.65 -64.04 1.21 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' B' ' 20' ' ' ALA . 7.0 mp -74.93 11.52 1.07 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.618 1.567 . . . . 0.0 112.263 -174.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 -19.21 15.87 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 tp -43.59 101.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 126.567 1.947 . . . . 0.0 111.11 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 -53.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.02 -41.49 1.78 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.64 -96.05 0.32 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.658 1.983 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -35.6 -52.71 0.68 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.457 1.903 . . . . 0.0 112.916 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 34' ' ' GLU 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.477 ' N ' HD12 ' B' ' 33' ' ' LEU . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -43.87 114.74 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.2 55.66 3.6 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.143 -0.973 . . . . 0.0 109.48 170.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.0 -148.84 45.55 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 121.853 -0.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.13 -55.23 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.164 0.986 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -56.26 -29.1 60.63 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.733 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.9 mt -68.24 -12.23 60.65 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.586 0.63 . . . . 0.0 112.208 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -72.6 -26.49 61.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.097 0.862 . . . . 0.0 111.208 169.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -84.13 -172.38 4.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 43' ' ' LEU . 50.0 mt 55.48 27.45 10.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.681 0.792 . . . . 0.0 112.16 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' B' ' 13' ' ' LEU . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.27 -28.32 3.11 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 tt -51.03 -29.19 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.254 1.021 . . . . 0.0 113.318 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.37 -70.08 0.11 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.254 1.821 . . . . 0.0 110.984 -176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.37 -65.87 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.069 0 O-C-N 122.14 -0.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -53.94 52.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -45.06 -46.04 11.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.263 1.025 . . . . 0.0 110.515 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 13' ' ' LEU . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD22 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.417 HD12 ' C ' ' B' ' 33' ' ' LEU 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp 45.59 55.59 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.39 86.04 0.42 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.251 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.26 -65.16 0.05 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.086 0 O-C-N 122.566 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.4 mp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 44' ' ' GLU . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' N ' HD12 ' A' ' 7' ' ' LEU . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HA ' HD11 ' B' ' 6' ' ' LEU . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' B' ' 32' ' ' ILE . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 7' ' ' LEU . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 17' ' ' TYR . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 39' ' ' HIS . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.63 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' B' ' 17' ' ' TYR . 97.8 mt . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.562 0.22 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.701 HD11 ' CB ' ' A' ' 20' ' ' ALA . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HB3' HD22 ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.1 mp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' B' ' 10' ' ' GLU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.66 ' CB ' HD21 ' B' ' 6' ' ' LEU . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.552 ' N ' HD12 ' A' ' 33' ' ' LEU . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.617 0.246 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.66 HD21 ' CB ' ' A' ' 20' ' ' ALA . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.48 HD13 HD11 ' B' ' 40' ' ' ILE . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' B' ' 13' ' ' LEU . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.498 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.48 HD11 HD13 ' B' ' 14' ' ' ILE . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.3 mp . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 40' ' ' ILE . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 30' ' ' ALA . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.828 0.346 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.462 HD13 HD11 ' B' ' 40' ' ' ILE . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.547 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.559 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.548 ' N ' HD12 ' B' ' 33' ' ' LEU . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.462 HD11 HD13 ' B' ' 14' ' ' ILE . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' B' ' 17' ' ' TYR . 52.6 mt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CD1' HD21 ' B' ' 13' ' ' LEU . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 29' ' ' LEU . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' HD12 ' A' ' 29' ' ' LEU . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 120.809 0.338 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' B' ' 9' ' ' LEU . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.583 ' N ' HD12 ' B' ' 6' ' ' LEU . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.703 HD21 ' HG3' ' B' ' 44' ' ' GLU . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 5' ' ' GLU . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 13' ' ' LEU . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' HD22 ' A' ' 6' ' ' LEU . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.594 ' O ' HG23 ' B' ' 24' ' ' VAL . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.673 HG11 HD12 ' B' ' 29' ' ' LEU . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.442 ' HB2' HG12 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.673 HD12 HG11 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.614 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.561 ' N ' HD12 ' B' ' 33' ' ' LEU . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.703 ' HG3' HD21 ' B' ' 7' ' ' LEU . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' ' 20' ' ' ALA . 4.2 mp . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 44' ' ' GLU . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 13' ' ' LEU . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' GLU . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.652 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 29' ' ' LEU . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' B' ' 32' ' ' ILE . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.552 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.526 0.679 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 20' ' ' ALA . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.538 ' CD2' HD11 ' A' ' 13' ' ' LEU . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' B' ' 30' ' ' ALA . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' B' ' 21' ' ' LEU . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.599 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.433 ' N ' HD12 ' B' ' 33' ' ' LEU . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . 0.442 ' CH2' HD21 ' A' ' 26' ' ' LEU . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' B' ' 20' ' ' ALA . 6.0 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 20' ' ' ALA . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.505 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.596 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.442 HD21 HD11 ' B' ' 13' ' ' LEU . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' A' ' 20' ' ' ALA . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 13' ' ' LEU . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' B' ' 17' ' ' TYR . 91.2 mt . . . . . 0 N--CA 1.443 -0.803 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 13' ' ' LEU . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.467 HD11 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.787 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' B' ' 25' ' ' LYS . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' B' ' 24' ' ' VAL . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.605 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' B' ' 20' ' ' ALA . 5.9 mp . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 13' ' ' LEU . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' B' ' 10' ' ' GLU . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CH2' ' B' ' 42' ' ' TRP . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.228 -0.067 0 CA-C-O 121.064 0.459 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 13' ' ' LEU . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.706 ' CB ' HD11 ' A' ' 6' ' ' LEU . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . 0.441 ' CH2' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' OE1' HD13 ' B' ' 13' ' ' LEU . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 13' ' ' LEU . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 20' ' ' ALA . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 44' ' ' GLU . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 13' ' ' LEU . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.585 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.473 ' CG ' HD11 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD21 ' CB ' ' B' ' 20' ' ' ALA . 3.8 mp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' B' ' 6' ' ' LEU . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.044 0.449 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 33' ' ' LEU . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.454 ' HB3' HD22 ' B' ' 33' ' ' LEU . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.661 ' CB ' HD21 ' A' ' 6' ' ' LEU . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.617 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' B' ' 20' ' ' ALA . 7.0 mp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.613 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 34' ' ' GLU 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.477 ' N ' HD12 ' B' ' 33' ' ' LEU . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 43' ' ' LEU . 50.0 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' B' ' 13' ' ' LEU . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.445 0.64 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 13' ' ' LEU . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD22 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.417 HD12 ' C ' ' B' ' 33' ' ' LEU 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.58 -87.03 0.63 Allowed 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.415 ' O ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -48.82 -26.87 2.63 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.66 -8.46 10.9 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -169.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -57.08 -40.17 76.4 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 117.764 -1.575 . . . . 0.0 109.582 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -87.78 -21.41 25.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.116 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.4 mp -94.75 -22.55 18.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.464 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 44' ' ' GLU . 1.1 pp -131.33 -43.46 1.04 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.999 1.272 . . . . 0.0 112.779 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' N ' HD12 ' A' ' 7' ' ' LEU . 73.9 tttt -66.97 -36.75 82.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.773 -1.204 . . . . 0.0 109.384 -173.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.82 -45.44 86.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.259 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -42.07 55.39 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.998 0.363 . . . . 0.0 110.28 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.87 -51.68 55.0 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.413 -0.18 . . . . 0.0 110.56 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.06 -29.98 70.67 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.366 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.0 -46.86 55.67 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 120.066 1.303 . . . . 0.0 109.775 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -53.94 -52.57 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 119.597 1.09 . . . . 0.0 109.388 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -52.2 -51.59 57.22 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.841 174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.15 73.6 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.002 -1.061 . . . . 0.0 109.896 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HA ' HD11 ' B' ' 6' ' ' LEU . 1.8 m-85 -60.05 -32.36 70.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -75.49 -31.15 60.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.76 -53.94 23.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.21 73.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.537 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -41.79 -46.36 3.86 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.297 1.039 . . . . 0.0 111.421 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -77.09 -48.35 18.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -57.33 -44.93 84.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.013 0.525 . . . . 0.0 111.256 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.36 -13.38 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 122.781 0.433 . . . . 0.0 110.413 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttp 44.85 54.22 6.9 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.94 2.096 . . . . 0.0 112.737 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.26 123.97 8.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 O-C-N 121.895 -0.503 . . . . 0.0 109.883 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -60.57 -27.3 84.58 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.24 1.96 . . . . 0.0 111.022 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.03 -39.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.83 -0.605 . . . . 0.0 111.386 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.6 -48.62 80.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.684 1.129 . . . . 0.0 108.573 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -36.09 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.858 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 120.941 -1.099 . . . . 0.0 110.43 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -67.29 -50.35 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.75 -42.6 89.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.4 tt0 -58.67 -54.57 45.53 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.239 0.616 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.38 -45.51 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.939 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.19 -44.87 79.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.71 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.685 1.194 . . . . 0.0 110.979 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -63.94 -45.1 90.71 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.749 -0.594 . . . . 0.0 111.805 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' B' ' 32' ' ' ILE . 19.7 m170 -60.38 -47.76 84.69 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.18 -46.69 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 124.447 1.099 . . . . 0.0 108.428 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.43 -42.16 53.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 110.427 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -53.16 -40.94 64.7 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.518 0.599 . . . . 0.0 110.954 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.56 -46.92 62.61 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 7' ' ' LEU . 22.4 mt-10 -75.92 27.56 0.11 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 t -148.3 -51.01 0.17 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 45.59 63.82 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 126.447 1.899 . . . . 0.0 110.259 173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 tp 72.53 -54.14 0.69 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.662 1.985 . . . . 0.0 110.934 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.28 120.32 3.09 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 O-C-N 122.241 -0.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -51.28 -49.06 61.97 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.012 0.525 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -46.03 -45.24 15.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.142 0.977 . . . . 0.0 110.905 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.99 -40.45 60.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.862 0.465 . . . . 0.0 111.437 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -48.64 -39.13 23.06 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.935 -1.103 . . . . 0.0 109.753 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -76.63 -46.89 24.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.735 0.414 . . . . 0.0 110.443 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 17' ' ' TYR . 71.2 mt -109.88 30.47 6.67 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.07 -0.394 . . . . 0.0 111.621 -172.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.59 -61.79 0.34 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -63.46 -51.1 67.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 121.427 -0.795 . . . . 0.0 109.205 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.66 -20.99 61.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.325 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -66.92 -49.07 66.71 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.932 1.242 . . . . 0.0 110.983 164.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.14 -47.22 81.68 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.004 -1.06 . . . . 0.0 110.427 -167.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -50.76 -31.43 16.75 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.931 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.66 -51.6 26.7 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.79 -38.51 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.261 0.937 . . . . 0.0 109.15 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -58.66 -55.83 30.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.165 0.586 . . . . 0.0 109.813 171.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -68.09 -32.17 72.3 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 121.793 -0.567 . . . . 0.0 111.192 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -60.49 -40.46 91.38 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.669 1.588 . . . . 0.0 108.645 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -69.3 -45.67 69.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -50.86 -44.76 59.66 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.45 21.48 11.07 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.503 0.721 . . . . 0.0 111.422 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -87.93 -62.45 1.49 Allowed 'General case' 0 CA--C 1.521 -0.147 0 O-C-N 120.957 -1.089 . . . . 0.0 108.257 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.43 -39.24 91.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.23 -169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.91 -32.65 73.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.664 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.54 -21.14 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 118.369 0.532 . . . . 0.0 112.14 -175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 61.72 21.37 12.13 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.71 111.97 62.32 Favored Pre-proline 0 N--CA 1.464 0.26 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -59.05 -25.88 79.52 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 CA-C-N 120.507 1.217 . . . . 0.0 110.677 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 64.0 t -43.48 -41.16 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -50.31 71.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.937 1.244 . . . . 0.0 109.804 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.04 80.3 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -68.17 -45.33 73.76 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 120.866 -1.146 . . . . 0.0 110.64 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 39' ' ' HIS . 21.0 mt -56.37 -52.45 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.63 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.17 -32.02 71.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.631 -166.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.82 -50.5 72.2 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.01 -49.96 74.19 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.41 -45.77 69.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.273 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.2 -48.74 54.08 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.302 1.041 . . . . 0.0 110.25 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -59.88 -48.75 80.42 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.779 -0.576 . . . . 0.0 111.226 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -53.92 -43.17 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.878 -0.514 . . . . 0.0 111.523 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.2 mt -71.06 -38.32 71.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.37 -39.86 70.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.94 -47.25 52.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.994 -0.441 . . . . 0.0 111.624 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.89 -43.81 91.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.021 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.22 -15.72 61.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -170.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.21 -39.92 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 127.167 2.187 . . . . 0.0 108.779 -171.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.282 5.0 tp 40.17 48.2 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 127.982 2.513 . . . . 0.0 111.724 173.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -43.9 64.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.165 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.43 177.19 37.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 CA-C-N 116.95 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -84.1 -11.89 55.93 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -19.1 -55.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 129.236 3.014 . . . . 0.0 114.303 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.65 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.584 -0.697 . . . . 0.0 112.375 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -64.48 -19.37 65.52 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.245 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.74 -42.03 86.88 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' B' ' 17' ' ' TYR . 97.8 mt -95.19 37.51 1.17 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.114 -0.366 . . . . 0.0 110.316 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -144.51 -57.83 0.36 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.907 -0.495 . . . . 0.0 110.693 167.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -63.27 -47.59 81.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.718 -173.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.37 -47.49 85.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.25 -41.89 65.9 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.773 0.321 . . . . 0.0 111.716 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.93 -40.98 97.39 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.086 -1.009 . . . . 0.0 110.569 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.95 -39.15 62.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.57 -58.41 8.7 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.799 1.24 . . . . 0.0 108.404 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.89 -37.45 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.668 0.667 . . . . 0.0 109.549 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.45 -53.12 59.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.925 -0.485 . . . . 0.0 110.895 171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.34 -30.62 71.48 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.412 -0.805 . . . . 0.0 111.521 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.74 -42.25 98.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.727 1.611 . . . . 0.0 108.985 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -67.66 -47.07 70.57 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.86 -45.12 67.28 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.195 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.32 -24.78 39.7 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 119.214 -0.995 . . . . 0.0 111.884 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -46.22 -44.61 16.36 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.944 1.247 . . . . 0.0 112.019 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -61.23 -42.28 98.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.574 0.75 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.87 -40.95 92.13 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.687 0.795 . . . . 0.0 109.699 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -73.37 -33.72 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.174 0.189 . . . . 0.0 111.434 -174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt 54.54 49.61 17.86 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.531 1.132 . . . . 0.0 111.903 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.29 123.08 6.37 Favored Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 121.42 -0.8 . . . . 0.0 110.023 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.41 -20.24 54.83 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.983 1.789 . . . . 0.0 111.661 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.32 -33.71 38.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.578 -0.701 . . . . 0.0 110.492 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.82 -47.89 83.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.74 -45.3 39.47 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.22 0.918 . . . . 0.0 112.716 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.06 -32.67 70.88 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.095 -176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.52 -48.03 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.76 -38.5 90.81 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -175.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.26 -54.37 47.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.318 0.58 . . . . 0.0 110.578 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.88 -48.25 80.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.976 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.33 -50.72 61.71 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -50.93 29.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.173 0.589 . . . . 0.0 110.598 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -58.57 -49.59 76.88 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.475 0.58 . . . . 0.0 111.183 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -54.63 -45.53 73.77 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.973 -0.455 . . . . 0.0 111.631 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 mt -70.39 -40.09 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.487 1.115 . . . . 0.0 109.231 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -54.85 -36.45 65.07 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.615 1.166 . . . . 0.0 109.062 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -46.46 -47.07 19.25 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -13.41 62.4 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.8 pt-20 -101.21 -31.93 10.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.061 1.301 . . . . 0.0 111.682 174.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -47.27 59.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 47' ' ' LEU . 1.3 tt -26.25 -58.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.454 1.502 . . . . 0.0 115.011 171.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 46' ' ' ILE . 2.5 tt -170.71 134.02 1.02 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.37 174.17 37.05 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.64 -49.08 76.58 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -26.81 -69.76 0.04 OUTLIER 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.295 2.238 . . . . 0.0 111.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.0 -49.13 79.05 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.137 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -54.14 -32.8 56.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.863 0.301 . . . . 0.0 110.298 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -69.2 -40.82 77.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -171.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.701 HD11 ' CB ' ' A' ' 20' ' ' ALA . 1.6 mp -107.4 38.29 2.18 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -151.39 -66.45 0.18 Allowed 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 120.81 -1.181 . . . . 0.0 110.333 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.46 -47.5 83.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.368 -0.833 . . . . 0.0 109.693 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.57 -45.17 92.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.22 -41.14 83.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 118.459 0.572 . . . . 0.0 110.997 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.45 -45.61 76.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 109.906 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -31.06 69.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.531 0.732 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.75 -55.76 13.56 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.86 -49.99 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.729 0.776 . . . . 0.0 109.529 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -48.86 -58.92 4.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.387 0.675 . . . . 0.0 112.555 167.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.27 -30.47 70.49 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.083 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HB3' HD22 ' B' ' 33' ' ' LEU . 2.7 m-85 -69.61 -31.79 70.12 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.573 1.149 . . . . 0.0 108.088 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -75.05 -42.2 57.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.99 -46.73 75.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.127 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.86 63.1 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.683 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 tp -42.93 -43.98 4.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.961 0.905 . . . . 0.0 112.449 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.09 -28.91 39.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.534 1.133 . . . . 0.0 112.028 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.67 -43.08 85.47 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -86.75 -32.47 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 59.22 44.8 15.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.348 1.459 . . . . 0.0 111.886 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -123.08 115.74 28.94 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 124.487 1.115 . . . . 0.0 108.83 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.99 -39.14 63.06 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.711 1.608 . . . . 0.0 111.463 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -49.63 -36.4 10.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.695 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -48.11 80.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.858 1.208 . . . . 0.0 109.747 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -24.9 62.49 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 117.945 -1.502 . . . . 0.0 108.426 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -70.2 -42.52 72.24 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 119.718 -1.864 . . . . 0.0 109.975 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.78 -51.03 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -63.38 -29.55 70.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.364 -0.934 . . . . 0.0 112.885 -177.448 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.7 -48.02 82.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -51.27 64.54 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.811 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.59 -42.8 75.33 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -49.36 20.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.017 0.927 . . . . 0.0 110.178 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.82 -46.98 87.53 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.694 -0.629 . . . . 0.0 111.699 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -54.24 -42.59 70.06 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.492 -0.755 . . . . 0.0 110.869 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -71.4 -37.58 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.44 -37.13 62.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.81 0.844 . . . . 0.0 109.819 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -50.15 -40.48 46.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 111.496 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.21 -44.96 51.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.035 0.534 . . . . 0.0 109.994 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.86 35.75 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.763 0.71 . . . . 0.0 112.318 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.9 t -150.22 -48.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 tp 36.21 66.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.942 1.297 . . . . 0.0 112.158 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 65.83 32.07 9.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.314 1.446 . . . . 0.0 112.258 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.89 43.22 1.44 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -26.2 -58.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.718 2.407 . . . . 0.0 113.177 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.529 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 t80 -60.27 -22.74 63.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -169.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -129.83 -23.42 2.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -55.41 -38.12 68.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 120.219 1.372 . . . . 0.0 109.976 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' HD12 ' A' ' 6' ' ' LEU . 41.2 mp0 -92.8 0.64 57.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.1 mp -123.63 -19.0 5.94 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.496 0.718 . . . . 0.0 111.807 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.1 tp -130.99 -51.95 1.04 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.394 1.477 . . . . 0.0 109.268 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -67.23 -38.62 85.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.45 -0.781 . . . . 0.0 109.205 -173.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.55 -57.83 11.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 167.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.47 -42.03 21.89 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.064 0.847 . . . . 0.0 112.082 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.1 -56.27 15.52 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.832 -0.542 . . . . 0.0 111.411 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.33 -23.69 64.43 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.57 0.623 . . . . 0.0 111.148 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' CD ' ' B' ' 10' ' ' GLU . 70.0 mt -76.41 -51.48 11.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 119.165 0.893 . . . . 0.0 108.849 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.9 mm -51.87 -49.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.915 0.864 . . . . 0.0 108.995 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -50.8 -57.07 9.3 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.197 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -63.65 -34.9 78.87 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 110.64 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.1 m-85 -65.57 -35.7 81.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -71.56 -44.88 63.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -53.65 -45.44 70.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.66 ' CB ' HD21 ' B' ' 6' ' ' LEU . . . -76.31 -34.34 59.05 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.584 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -42.92 -49.86 5.87 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.22 0.918 . . . . 0.0 112.777 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.05 -34.25 77.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.185 0.994 . . . . 0.0 111.008 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -77.04 -36.25 56.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.99 0.916 . . . . 0.0 109.841 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -87.27 -29.27 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.938 0.495 . . . . 0.0 111.186 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mttm 59.23 33.64 22.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.653 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.82 115.19 39.15 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -30.28 92.43 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.818 1.679 . . . . 0.0 111.331 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.3 t -50.22 -37.57 14.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.804 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -49.44 77.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.974 1.716 . . . . 0.0 109.033 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.5 69.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.37 -40.4 43.98 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.403 -1.435 . . . . 0.0 110.392 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 mt -57.15 -48.13 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -66.74 -34.63 78.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.367 -175.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.552 ' N ' HD12 ' A' ' 33' ' ' LEU . 36.8 tt0 -59.06 -49.63 77.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.14 0.495 . . . . 0.0 109.757 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -49.03 78.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.842 -177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.57 -45.91 70.09 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.22 -38.93 13.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 111.436 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.61 -46.64 81.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.577 0.626 . . . . 0.0 111.689 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -60.31 -43.95 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.247 -0.908 . . . . 0.0 109.824 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.58 -39.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.07 -41.6 71.71 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.043 0.937 . . . . 0.0 108.906 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -50.2 -40.36 46.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 122.378 -0.201 . . . . 0.0 111.26 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.17 -31.67 66.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.87 -24.4 62.5 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.361 0.982 . . . . 0.0 112.417 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.4 -44.14 5.01 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.904 1.282 . . . . 0.0 111.374 -168.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.267 4.3 tp 35.67 67.55 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.521 2.329 . . . . 0.0 113.173 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.87 16.2 3.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.426 1.89 . . . . 0.0 113.87 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.98 -148.88 5.26 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 117.169 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.63 -53.49 2.74 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.39 1.476 . . . . 0.0 114.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -61.8 -42.08 98.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 123.718 0.807 . . . . 0.0 110.425 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -107.26 29.23 7.32 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.429 1.091 . . . . 0.0 112.49 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -115.07 -4.84 12.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.073 0.851 . . . . 0.0 111.775 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -137.44 -50.24 0.62 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.599 0.636 . . . . 0.0 109.627 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.66 HD21 ' CB ' ' A' ' 20' ' ' ALA . 4.7 mp -57.86 -17.84 18.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.246 -175.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.2 -44.03 3.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.354 1.062 . . . . 0.0 112.364 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.54 -42.72 97.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.733 -1.229 . . . . 0.0 110.242 -177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.83 -30.67 71.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.479 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' CD ' HD13 ' A' ' 13' ' ' LEU . 44.1 mm-40 -70.14 -44.7 68.33 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 118.655 0.661 . . . . 0.0 109.261 172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -52.92 56.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.601 -0.687 . . . . 0.0 109.994 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -58.34 -34.33 70.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.172 -0.33 . . . . 0.0 111.544 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -69.02 -50.47 48.5 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.584 1.954 . . . . 0.0 108.461 -176.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.48 HD13 HD11 ' B' ' 40' ' ' ILE . 1.4 mp -57.16 -42.21 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 120.161 1.346 . . . . 0.0 110.078 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -58.14 -49.74 75.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.699 -0.626 . . . . 0.0 109.605 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -64.32 -33.56 76.11 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' B' ' 13' ' ' LEU . 0.9 OUTLIER -59.97 -29.88 68.73 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.097 0.959 . . . . 0.0 109.328 175.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -71.14 -49.25 46.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.278 0.944 . . . . 0.0 109.382 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -49.88 -49.02 51.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.264 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -98.34 27.6 4.6 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.613 0.765 . . . . 0.0 111.173 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tp -104.29 -54.14 2.59 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 165.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.06 -43.21 91.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.236 0.541 . . . . 0.0 109.684 -173.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -10.32 59.31 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.185 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.73 -33.07 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.388 0.54 . . . . 0.0 111.806 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 mttp 58.53 58.93 3.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.612 1.165 . . . . 0.0 111.85 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -137.57 117.03 10.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 O-C-N 121.267 -0.895 . . . . 0.0 110.158 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.09 -34.66 57.09 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.651 1.567 . . . . 0.0 111.418 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.13 -40.66 17.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 121.886 -0.509 . . . . 0.0 110.736 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.97 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.745 -0.597 . . . . 0.0 109.578 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.56 78.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.14 0.495 . . . . 0.0 110.748 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.4 -37.44 80.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 120.951 -1.093 . . . . 0.0 110.624 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.24 -52.17 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.498 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.75 -39.01 83.33 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -175.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -61.09 -56.96 14.82 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.229 0.611 . . . . 0.0 110.454 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.21 -50.31 71.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.27 -43.33 64.35 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -43.07 63.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.84 0.746 . . . . 0.0 111.602 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.43 -43.55 96.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.685 -0.635 . . . . 0.0 110.18 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.75 -39.54 89.11 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.249 -0.907 . . . . 0.0 110.153 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.48 HD11 HD13 ' B' ' 14' ' ' ILE . 50.9 mt -61.55 -50.73 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -38.53 61.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.902 0.881 . . . . 0.0 109.508 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -50.48 -46.69 57.07 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.56 -0.713 . . . . 0.0 110.212 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.4 -10.66 60.12 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.117 0.967 . . . . 0.0 112.8 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.32 -47.14 5.83 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.72 1.145 . . . . 0.0 110.221 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -42.11 98.7 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.118 0.967 . . . . 0.0 109.498 -173.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.4 HG23 ' N ' ' B' ' 47' ' ' LEU . 9.4 tp -33.81 -47.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 113.432 169.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 46' ' ' ILE . 8.2 tp -91.3 -44.79 8.98 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.08 -61.58 3.41 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 121.98 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -34.47 -58.64 0.48 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -49.44 -51.4 35.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.292 1.037 . . . . 0.0 110.346 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.8 mt -81.99 3.28 27.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.904 0.881 . . . . 0.0 112.965 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -102.76 -12.62 17.49 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.061 0.846 . . . . 0.0 110.218 166.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.59 -63.33 1.17 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 20' ' ' ALA . 5.3 mp -83.67 33.97 0.48 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.221 1.808 . . . . 0.0 109.241 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.66 -55.47 0.38 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.62 -52.47 57.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.46 -46.2 83.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 40' ' ' ILE . 39.5 mt-10 -52.71 -51.03 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.159 0.504 . . . . 0.0 110.897 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.45 -52.2 66.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -35.65 28.98 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.065 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -54.15 12.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 119.422 1.01 . . . . 0.0 108.622 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.2 mm -48.4 -45.77 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.285 0.948 . . . . 0.0 110.11 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -56.15 -52.83 62.96 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.848 0.859 . . . . 0.0 109.549 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.7 95.19 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.689 0.796 . . . . 0.0 110.132 -175.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.63 -40.9 93.62 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.111 1.364 . . . . 0.0 109.157 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.23 -45.5 73.08 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.13 -49.47 69.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.147 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -77.28 -20.5 54.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.746 -0.596 . . . . 0.0 111.651 -172.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 30' ' ' ALA . 5.0 tt -48.02 -42.4 28.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.607 0.639 . . . . 0.0 111.722 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -75.19 -39.99 59.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.389 0.676 . . . . 0.0 111.016 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -62.8 -34.83 78.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 122.221 -0.299 . . . . 0.0 110.844 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.54 -30.36 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.053 0.541 . . . . 0.0 111.286 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 53.84 64.42 1.84 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.852 1.661 . . . . 0.0 112.141 -174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -137.75 119.7 10.9 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.491 0.716 . . . . 0.0 109.402 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.23 -33.97 22.95 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.125 1.883 . . . . 0.0 111.52 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.02 -36.8 2.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 170.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -53.63 55.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.202 0.91 . . . . 0.0 111.032 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -57.78 -39.93 78.63 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.706 -0.621 . . . . 0.0 109.549 173.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -39.18 89.69 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 120.482 -1.386 . . . . 0.0 111.485 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -62.69 -51.45 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.45 -32.61 74.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.877 -171.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -63.76 -45.8 88.15 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.551 0.691 . . . . 0.0 109.992 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.56 -54.06 50.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.48 -46.61 70.06 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.665 0.786 . . . . 0.0 110.657 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -52.94 -39.49 62.93 Favored 'General case' 0 N--CA 1.423 -1.82 0 C-N-CA 126.853 2.061 . . . . 0.0 109.332 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -70.19 -41.31 73.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.455 1.025 . . . . 0.0 111.179 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -64.78 -44.23 90.65 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.498 -0.751 . . . . 0.0 110.529 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 46.4 mt -58.59 -39.44 75.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 123.743 0.817 . . . . 0.0 108.976 174.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.56 -37.62 78.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -49.54 -46.76 49.07 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.083 0.468 . . . . 0.0 110.935 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.17 -19.12 61.8 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.438 -0.789 . . . . 0.0 112.369 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -87.45 -10.84 50.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.246 0.93 . . . . 0.0 113.219 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 -40.29 6.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.806 1.242 . . . . 0.0 108.916 -172.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.87 -41.25 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 tp -113.31 -63.84 1.39 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.15 -77.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.262 0.934 . . . . 0.0 111.654 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.196 0 O-C-N 122.046 -0.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -45.97 -52.74 11.18 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.061 0.944 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -50.31 -48.09 55.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.302 1.041 . . . . 0.0 111.569 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.23 -50.27 66.46 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.679 -0.638 . . . . 0.0 109.338 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -61.7 -5.99 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.595 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.28 -74.07 0.64 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.0 mp -66.2 -13.76 60.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.091 0.956 . . . . 0.0 111.036 -167.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -97.57 -54.45 3.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -63.93 -46.18 85.89 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 121.384 -0.823 . . . . 0.0 110.053 -170.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.63 -41.82 98.22 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.97 -49.38 75.88 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.075 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.57 -41.08 76.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.74 -40.17 69.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 118.907 -0.568 . . . . 0.0 112.075 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.16 -53.24 52.5 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.157 0.89 . . . . 0.0 108.837 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.462 HD13 HD11 ' B' ' 40' ' ' ILE . 1.3 mp -59.57 -40.54 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 118.866 0.757 . . . . 0.0 109.394 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.04 -49.54 77.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.837 -0.539 . . . . 0.0 109.547 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -37.0 83.0 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 121.456 -0.778 . . . . 0.0 111.057 -178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.09 -35.97 80.31 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.365 1.866 . . . . 0.0 109.34 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -69.21 -43.02 74.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.44 -49.05 78.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.89 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.547 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.4 -17.31 60.82 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.404 -0.81 . . . . 0.0 111.402 -174.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.21 -40.24 58.3 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.659 0.784 . . . . 0.0 111.8 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.06 -45.92 31.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.854 0.752 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -64.23 -37.13 86.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.39 0.676 . . . . 0.0 111.375 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.56 -28.36 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 122.829 0.452 . . . . 0.0 110.976 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 57.43 65.08 1.43 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.441 1.096 . . . . 0.0 113.1 168.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.57 133.78 11.33 Favored Pre-proline 0 CA--C 1.529 0.168 0 O-C-N 121.751 -0.593 . . . . 0.0 109.629 -176.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -64.85 -39.66 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.687 1.591 . . . . 0.0 110.317 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.32 -42.3 15.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 119.074 -0.489 . . . . 0.0 109.724 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -63.61 1.09 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 119.289 0.95 . . . . 0.0 110.228 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -31.19 65.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.856 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -76.17 -31.47 58.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 120.955 -1.091 . . . . 0.0 110.733 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.49 -57.91 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.559 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -52.74 -39.74 62.41 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -171.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.548 ' N ' HD12 ' B' ' 33' ' ' LEU . 33.6 tt0 -59.41 -56.63 19.59 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.484 0.713 . . . . 0.0 111.07 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.26 -50.25 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.095 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -51.65 -44.24 62.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.8 -37.59 19.67 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.581 1.153 . . . . 0.0 112.305 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -63.48 -42.93 98.57 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.538 -0.726 . . . . 0.0 111.128 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.6 -38.56 88.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.299 -0.875 . . . . 0.0 110.327 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.462 HD11 HD13 ' B' ' 14' ' ' ILE . 18.7 mt -64.61 -46.19 93.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.54 -37.9 58.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.346 1.058 . . . . 0.0 110.282 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.93 -41.18 67.44 Favored 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 121.35 -0.844 . . . . 0.0 110.81 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -10.44 29.67 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -88.34 -35.81 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.509 1.504 . . . . 0.0 111.256 166.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.7 73.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 123.435 0.694 . . . . 0.0 109.899 -172.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.4 tp -49.7 -40.04 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.264 1.825 . . . . 0.0 112.916 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.63 -138.47 0.25 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.817 0.847 . . . . 0.0 111.321 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.55 -63.53 4.43 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 120.63 -1.294 . . . . 0.0 110.67 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 117.442 0.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.238 0.491 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.74 -89.25 0.11 Allowed 'General case' 0 C--N 1.3 -1.573 0 O-C-N 117.516 -3.24 . . . . 0.0 111.448 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.861 ' CD1' HG22 ' B' ' 24' ' ' VAL . 31.8 p90 -62.67 -49.52 74.82 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.844 1.307 . . . . 0.0 109.564 -169.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -18.47 64.2 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.033 -172.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' CZ ' ' O ' ' A' ' 0' ' ' ACE . 66.6 mtm180 -52.14 -41.38 62.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 118.912 0.778 . . . . 0.0 110.551 173.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.25 -6.2 58.6 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.363 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' B' ' 17' ' ' TYR . 52.6 mt -123.9 20.56 9.2 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.711 0.804 . . . . 0.0 110.22 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.67 -47.78 0.68 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -70.49 -51.36 29.54 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.429 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.59 -44.55 96.11 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -52.44 -40.01 61.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.595 0.634 . . . . 0.0 111.832 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -53.2 -54.39 36.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.247 0.931 . . . . 0.0 110.653 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.24 -29.25 65.6 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.675 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CD1' HD21 ' B' ' 13' ' ' LEU . 15.4 mt -73.71 -51.81 15.35 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.353 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 mm -52.48 -44.96 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 119.265 0.939 . . . . 0.0 109.604 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.8 63.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.581 173.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.09 -33.25 73.05 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.098 -1.001 . . . . 0.0 110.844 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.41 -35.13 79.53 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 31.4 mtp85 -71.7 -42.65 67.14 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.21 0.529 . . . . 0.0 109.626 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.28 -40.41 94.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.064 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -78.2 -31.49 49.47 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.965 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.11 -48.36 3.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.094 0.861 . . . . 0.0 111.91 174.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.32 -32.12 68.21 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 123.214 0.606 . . . . 0.0 110.767 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.98 -31.17 34.86 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.553 0.741 . . . . 0.0 111.322 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 29' ' ' LEU . 76.9 t -86.69 -22.87 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 61.69 63.99 1.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.705 0.764 . . . . 0.0 110.518 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' HD12 ' A' ' 29' ' ' LEU . 10.7 tp -149.52 124.56 4.84 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 121.559 -0.713 . . . . 0.0 109.275 177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -71.22 -36.32 7.34 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 121.373 1.382 . . . . 0.0 110.404 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.2 t -46.91 -32.95 2.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.609 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -62.27 -54.6 38.44 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 120.477 1.49 . . . . 0.0 111.335 -178.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -57.22 -37.91 72.96 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 111.391 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.88 -37.26 78.91 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.883 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.15 -52.86 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -60.06 -36.82 78.17 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -173.113 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.71 -52.93 63.0 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.126 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.56 -46.95 67.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.053 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.1 -47.19 81.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.28 175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -40.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.421 1.488 . . . . 0.0 110.733 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -63.53 -45.55 90.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -53.35 -47.98 68.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.671 -0.643 . . . . 0.0 110.178 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.31 -42.06 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.65 -36.38 67.0 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.747 0.819 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -51.61 -40.8 60.57 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 119.074 0.852 . . . . 0.0 110.384 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.49 -43.29 60.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.662 0.785 . . . . 0.0 110.963 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.62 29.44 0.44 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.708 0.685 . . . . 0.0 112.76 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -152.71 -46.43 0.1 Allowed 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 120.871 -1.143 . . . . 0.0 109.729 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 tp 41.7 62.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 126.952 2.101 . . . . 0.0 110.029 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.87 79.8 0.25 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.455 1.121 . . . . 0.0 108.194 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -51.91 117.62 6.25 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 CA-C-N 117.224 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -41.85 -62.88 0.82 Allowed 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.215 1.406 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -55.49 -54.54 42.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.137 0.575 . . . . 0.0 111.409 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.0 -45.0 75.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.424 -0.797 . . . . 0.0 109.912 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 -72.08 2.04 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 120.372 -1.455 . . . . 0.0 113.735 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' B' ' 9' ' ' LEU . 21.4 mt-10 -105.95 -33.15 8.02 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 119.485 1.039 . . . . 0.0 111.041 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.583 ' N ' HD12 ' B' ' 6' ' ' LEU . 1.2 mp -114.93 17.09 17.09 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 121.526 -0.734 . . . . 0.0 109.584 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.703 HD21 ' HG3' ' B' ' 44' ' ' GLU . 1.7 tt -133.6 -62.66 0.77 Allowed 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -50.9 71.02 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.357 -0.84 . . . . 0.0 109.957 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 5' ' ' GLU . 63.2 mt -72.3 -10.91 60.4 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 68.2 mm-40 -86.31 -41.72 14.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.075 0.852 . . . . 0.0 109.775 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -40.79 86.42 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.135 -0.978 . . . . 0.0 108.885 -177.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.24 -32.88 25.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.486 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 13' ' ' LEU . 23.5 mt -72.16 -53.23 13.32 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.59 -34.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -66.23 -55.22 17.24 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.529 -0.732 . . . . 0.0 109.666 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -62.84 -29.86 71.06 Favored 'General case' 0 C--O 1.224 -0.278 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' HD22 ' A' ' 6' ' ' LEU . 5.3 m-85 -63.55 -36.79 84.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 125.117 1.367 . . . . 0.0 108.089 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -72.52 -41.04 66.3 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.3 -35.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.306 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.594 ' O ' HG23 ' B' ' 24' ' ' VAL . . . -82.0 -28.04 32.79 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.533 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -40.14 12.94 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.094 1.315 . . . . 0.0 112.411 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -61.86 -33.97 75.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.968 0.507 . . . . 0.0 111.343 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.65 -33.43 21.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.282 1.833 . . . . 0.0 110.967 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 2' ' ' TYR . 88.2 t -78.29 -42.35 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 123.239 0.616 . . . . 0.0 110.33 -174.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 61.16 50.11 5.13 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.938 1.295 . . . . 0.0 110.482 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.442 ' HB2' HG12 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -143.86 129.54 9.89 Favored Pre-proline 0 CA--C 1.536 0.42 0 O-C-N 121.57 -0.706 . . . . 0.0 110.121 -175.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.99 -35.63 5.16 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.719 2.28 . . . . 0.0 111.3 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -45.16 -35.03 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 C-N-CA 123.018 0.527 . . . . 0.0 109.693 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.673 HD12 HG11 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -60.85 -47.68 85.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.647 0.658 . . . . 0.0 111.355 -177.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.47 68.47 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.705 -0.622 . . . . 0.0 109.442 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.18 -47.31 29.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.431 -0.793 . . . . 0.0 110.533 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.28 -52.58 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 124.908 1.283 . . . . 0.0 107.636 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.614 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -63.86 -37.21 86.54 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.971 -170.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.561 ' N ' HD12 ' B' ' 33' ' ' LEU . 18.5 tt0 -62.67 -47.2 84.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.659 0.784 . . . . 0.0 109.397 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -50.21 -51.06 47.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.198 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.8 -51.96 66.92 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -42.26 1.64 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.645 1.178 . . . . 0.0 111.854 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -72.53 -47.62 46.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.804 -0.56 . . . . 0.0 112.458 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -52.1 -36.14 50.06 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.878 -0.513 . . . . 0.0 110.975 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 40.7 mt -76.72 -39.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.49 1.116 . . . . 0.0 109.336 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -36.26 48.5 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.039 -0.413 . . . . 0.0 110.119 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -51.36 -40.45 59.19 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.499 0.666 . . . . 0.0 112.02 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.33 -41.12 73.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.608 -0.683 . . . . 0.0 110.827 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.703 ' HG3' HD21 ' B' ' 7' ' ' LEU . 1.7 mt-10 -75.47 27.3 0.1 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.035 0.834 . . . . 0.0 112.645 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.16 -45.46 0.13 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 120.331 -1.48 . . . . 0.0 110.256 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 tp 39.8 49.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.06 2.144 . . . . 0.0 111.278 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.37 82.59 2.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.9 173.27 21.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 O-C-N 122.433 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -28.02 -64.01 0.09 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.164 2.586 . . . . 0.0 113.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -58.09 -20.7 41.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.85 1.26 . . . . 0.0 113.986 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.61 -30.18 5.56 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.162 0.892 . . . . 0.0 111.405 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -52.75 -41.29 63.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 120.293 -1.505 . . . . 0.0 109.342 167.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -90.63 -28.72 18.22 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.917 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' ' 20' ' ' ALA . 4.2 mp -117.61 34.06 5.32 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 118.05 0.386 . . . . 0.0 110.28 -176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 44' ' ' GLU . 27.2 tp -160.58 -58.09 0.06 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 121.138 -0.976 . . . . 0.0 109.765 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -65.15 -45.17 86.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 121.811 -0.556 . . . . 0.0 109.619 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.74 -47.18 87.46 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 13' ' ' LEU . 50.7 mm-40 -50.79 -44.12 58.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.079 0.399 . . . . 0.0 111.94 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.18 -48.97 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 122.116 -0.365 . . . . 0.0 110.046 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -27.35 63.39 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.138 0.575 . . . . 0.0 112.122 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' GLU . 21.1 mt -73.76 -53.81 9.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 119.533 1.06 . . . . 0.0 108.412 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -52.07 -48.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -54.13 -55.62 25.99 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.646 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.24 -33.53 73.66 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.691 -0.631 . . . . 0.0 111.304 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -65.28 -34.94 79.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -73.74 -41.81 62.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -54.64 -50.45 68.12 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.748 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.652 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -80.88 -31.21 35.34 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.518 -0.739 . . . . 0.0 111.08 -172.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 10.3 tp -41.78 -50.76 4.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.744 1.218 . . . . 0.0 112.147 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.13 -39.2 92.71 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.047 -0.408 . . . . 0.0 110.644 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -65.93 -36.15 82.57 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.093 0.557 . . . . 0.0 110.274 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.6 t -79.98 -30.86 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 122.933 0.493 . . . . 0.0 111.926 -175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt 57.78 61.05 2.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.848 1.259 . . . . 0.0 112.291 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 29' ' ' LEU . 14.4 tp -150.04 123.77 4.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.38 -36.48 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.612 1.541 . . . . 0.0 111.551 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.89 -38.1 2.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.181 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD23 HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.17 -51.55 69.52 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 120.65 1.568 . . . . 0.0 110.531 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.02 -28.82 69.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.29 -40.96 61.94 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 120.312 -1.492 . . . . 0.0 111.422 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.72 -52.22 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -64.79 -30.8 71.82 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 118.624 -1.23 . . . . 0.0 110.369 -170.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.28 -50.13 74.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -54.89 -55.02 35.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.4 -41.76 52.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.806 0.442 . . . . 0.0 110.653 177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.75 0.82 . . . . 0.0 110.466 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.63 -44.6 77.57 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.705 0.684 . . . . 0.0 111.241 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' B' ' 32' ' ' ILE . 67.7 m-70 -50.88 -45.84 60.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.317 0.58 . . . . 0.0 110.903 174.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.8 mt -73.89 -33.9 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 124.744 1.218 . . . . 0.0 109.253 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.92 71.1 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -49.14 -45.81 44.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.276 0.56 . . . . 0.0 110.332 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.42 -19.34 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.407 -0.808 . . . . 0.0 113.034 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.552 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -81.36 -31.59 33.3 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.745 1.612 . . . . 0.0 111.653 173.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -35.98 58.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 127.52 2.328 . . . . 0.0 111.05 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.03 -30.34 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.214 -159.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 tt -146.64 75.35 1.39 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.85 -27.99 72.02 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 O-C-N 121.728 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.71 -54.51 41.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -55.01 -48.1 73.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.403 1.081 . . . . 0.0 110.863 -173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.95 -40.14 92.16 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -80.24 22.8 0.51 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.93 -1.106 . . . . 0.0 111.77 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -127.28 -69.46 0.75 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 20' ' ' ALA . 3.2 mp -81.41 30.0 0.35 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 123.686 0.794 . . . . 0.0 110.96 -172.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -140.2 -53.77 0.52 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.211 -0.931 . . . . 0.0 109.753 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -41.16 92.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 121.338 -0.851 . . . . 0.0 111.388 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.04 -41.06 97.52 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 35.4 mm-40 -61.1 -39.54 90.33 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.07 0.462 . . . . 0.0 111.737 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.94 -42.26 68.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.674 -0.642 . . . . 0.0 110.582 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.075 0.55 . . . . 0.0 111.133 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.538 ' CD2' HD11 ' A' ' 13' ' ' LEU . 21.8 mt -68.57 -56.69 7.46 Favored 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.89 -39.18 63.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -174.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -57.89 11.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 0.0 110.695 170.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.59 -37.57 78.91 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.809 0.814 . . . . 0.0 111.517 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.67 -33.53 76.1 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.138 1.775 . . . . 0.0 109.327 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -73.3 -45.1 57.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -50.85 -52.39 41.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.82 0.7 . . . . 0.0 109.168 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -74.23 -24.31 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 118.893 -1.123 . . . . 0.0 111.633 -174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' B' ' 30' ' ' ALA . 3.5 tt -45.14 -61.9 1.46 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.349 1.459 . . . . 0.0 112.29 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.26 -36.04 47.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.001 0.52 . . . . 0.0 109.958 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -30.93 65.14 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.281 0.232 . . . . 0.0 111.273 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.74 -31.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.484 1.114 . . . . 0.0 110.297 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 62.4 71.11 0.54 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.592 1.557 . . . . 0.0 110.929 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -152.18 122.38 3.52 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 121.936 -0.477 . . . . 0.0 109.982 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -70.59 -32.88 14.38 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 121.807 1.671 . . . . 0.0 111.459 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -48.12 -39.85 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.312 0.505 . . . . 0.0 110.51 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -60.01 4.06 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.725 0.693 . . . . 0.0 109.384 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' B' ' 21' ' ' LEU . . . -45.66 -42.31 11.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 170.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.11 -33.45 70.16 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 120.962 -1.086 . . . . 0.0 111.272 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -67.57 -51.29 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.599 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -60.48 -37.62 81.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.433 ' N ' HD12 ' B' ' 33' ' ' LEU . 7.2 tt0 -57.29 -52.61 64.65 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.81 -0.556 . . . . 0.0 110.715 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.3 -46.93 76.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.63 -45.25 77.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -49.27 43.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.175 0.99 . . . . 0.0 110.512 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -61.06 -47.49 86.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.852 -0.53 . . . . 0.0 111.181 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -56.15 -41.0 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.313 -0.867 . . . . 0.0 111.284 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.5 mt -68.25 -42.78 84.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 123.505 0.722 . . . . 0.0 109.205 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -49.83 -37.29 29.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.086 0.954 . . . . 0.0 109.813 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . 0.442 ' CH2' HD21 ' A' ' 26' ' ' LEU . 2.2 t90 -54.29 -37.45 64.79 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 111.99 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.02 -1.04 23.88 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.296 1.038 . . . . 0.0 113.075 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.6 -30.91 11.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.947 1.249 . . . . 0.0 111.363 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -48.17 37.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.595 1.158 . . . . 0.0 109.893 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.5 tp -27.28 111.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 126.785 2.034 . . . . 0.0 113.356 174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -107.21 148.17 29.24 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.42 -56.75 4.89 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.075 0 CA-C-N 117.611 0.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -2.68 17.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -20.01 -57.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 129.334 3.054 . . . . 0.0 114.565 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.28 -56.65 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.507 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -74.73 3.17 8.39 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.605 -0.712 . . . . 0.0 111.578 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.23 -66.13 0.92 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.308 0.958 . . . . 0.0 108.691 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' B' ' 20' ' ' ALA . 6.0 mp -48.4 -39.93 24.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.117 0.871 . . . . 0.0 109.709 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.69 -53.46 27.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.475 1.11 . . . . 0.0 109.597 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -63.79 -38.21 90.26 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.301 1.44 . . . . 0.0 108.98 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.58 -47.09 70.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -57.54 -44.05 84.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 111.064 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -41.79 71.76 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.578 -0.701 . . . . 0.0 109.818 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -61.3 -24.4 66.39 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.91 -53.82 23.51 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 119.925 1.239 . . . . 0.0 108.225 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.13 -36.32 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -62.92 -51.51 66.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.636 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.47 74.54 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 110.593 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -63.07 -41.98 99.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.664 1.186 . . . . 0.0 109.345 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -68.55 -47.27 67.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.17 -50.42 37.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.58 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -85.16 -12.14 53.43 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.581 -0.847 . . . . 0.0 112.66 -174.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -49.14 -38.63 25.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.807 1.185 . . . . 0.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.25 -36.07 47.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.344 1.057 . . . . 0.0 111.551 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -40.93 84.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 t -93.03 -33.27 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt 53.44 58.75 4.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.502 1.521 . . . . 0.0 111.769 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.32 117.42 17.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.724 -0.61 . . . . 0.0 110.889 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.47 -31.35 27.65 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.867 1.711 . . . . 0.0 111.875 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -51.21 -36.95 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 O-C-N 121.043 -1.036 . . . . 0.0 110.549 170.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -53.69 53.04 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.68 -52.33 1.67 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 165.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.12 -34.02 72.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.133 -1.427 . . . . 0.0 112.981 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.72 -45.3 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -40.09 70.69 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -167.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -54.8 -56.3 20.9 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.153 0.981 . . . . 0.0 110.137 170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.0 -51.34 66.54 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.249 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.87 -49.28 49.9 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.881 0.472 . . . . 0.0 110.113 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -42.1 49.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.176 0.59 . . . . 0.0 110.76 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -63.48 -48.37 77.95 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.546 -0.721 . . . . 0.0 112.01 176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -53.79 -42.69 68.58 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 121.505 -0.747 . . . . 0.0 110.533 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.83 -37.22 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.24 -36.43 63.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.392 0.677 . . . . 0.0 109.536 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -48.51 -45.89 37.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.817 -0.552 . . . . 0.0 111.409 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.52 -36.7 84.59 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.99 -27.63 26.32 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.576 0.626 . . . . 0.0 112.388 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.23 -48.85 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.304 5.3 tp 47.52 37.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.373 1.869 . . . . 0.0 111.738 167.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -138.36 75.22 1.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.6 -56.73 4.18 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 117.461 0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.38 -52.38 61.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -46.06 -43.88 14.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.725 1.21 . . . . 0.0 112.227 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.61 -18.08 57.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.649 1.18 . . . . 0.0 114.107 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -64.89 -31.58 72.88 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.96 1.255 . . . . 0.0 110.5 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -112.65 -160.77 0.73 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 20' ' ' ALA . 5.6 mp 51.46 42.29 29.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.097 -174.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -177.62 -59.59 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.932 1.693 . . . . 0.0 108.796 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.3 -45.61 90.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.945 -1.097 . . . . 0.0 110.756 -171.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.75 -17.62 62.18 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 122.768 0.427 . . . . 0.0 111.343 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -80.55 -46.13 16.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.33 -49.93 63.29 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.471 0.709 . . . . 0.0 110.452 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -55.78 -30.2 60.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mt -72.26 -47.77 47.73 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.297 0.953 . . . . 0.0 108.526 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.75 -47.94 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -57.15 -51.18 70.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.151 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -26.54 65.81 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.839 -0.538 . . . . 0.0 110.945 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.505 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.5 OUTLIER -66.61 -42.84 86.25 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.883 0.873 . . . . 0.0 108.672 175.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -63.64 -48.37 77.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -51.55 -50.03 60.86 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.17 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 6' ' ' LEU . . . -69.04 -35.25 76.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.835 -175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.45 -32.56 57.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 118.855 0.752 . . . . 0.0 111.577 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.05 -41.84 88.85 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.924 -0.485 . . . . 0.0 109.734 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -42.98 26.68 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.737 0.815 . . . . 0.0 110.379 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.02 -24.62 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 122.571 0.348 . . . . 0.0 111.708 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 50.52 60.71 3.65 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.47 1.508 . . . . 0.0 112.976 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -136.11 114.65 10.83 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.02 -42.05 55.39 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 121.985 1.79 . . . . 0.0 111.453 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -29.1 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.795 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.66 -43.48 97.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 120.907 1.685 . . . . 0.0 110.081 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.81 75.41 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -68.82 -36.54 78.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.888 -1.133 . . . . 0.0 110.743 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.36 -52.06 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.596 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -63.8 -28.6 69.97 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.763 -169.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.35 -50.47 73.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.63 -48.32 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.907 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.45 -49.76 69.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.416 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.86 -45.33 20.23 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.816 1.246 . . . . 0.0 110.768 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -63.16 -48.09 79.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -56.02 -37.02 68.61 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.77 -40.78 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.96 -46.81 21.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.644 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -48.92 -41.37 33.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.505 0.722 . . . . 0.0 112.248 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.99 -51.33 18.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.79 36.94 0.22 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.69 0.796 . . . . 0.0 112.165 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.65 -49.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.277 1.7 tp 43.69 -136.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.996 1.718 . . . . 0.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt 41.25 39.75 1.03 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.944 1.698 . . . . 0.0 113.789 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 68.08 2.69 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 117.26 0.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.631 ' H3 ' ' CG ' ' A' ' 4' ' ' ARG . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -34.3 7.29 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 125.595 1.809 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' O ' ' HB1' ' B' ' 20' ' ' ALA . 0.8 OUTLIER -84.65 -56.45 3.59 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 124.361 1.038 . . . . 0.0 113.207 174.359 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 6' ' ' LEU 0.417 0.2 OUTLIER -164.12 66.61 0.16 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.103 1.761 . . . . 0.0 109.835 179.684 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.631 ' CG ' ' H3 ' ' A' ' 0' ' ' ACE 0.391 11.2 ptt180 -153.89 -7.65 0.16 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.512 -1.367 . . . . 0.0 113.057 151.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -39.4 54.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -72.87 14.58 0.26 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.32 1.048 . . . . 0.0 112.516 -175.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.18 -51.95 1.2 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -67.13 -47.68 70.39 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.739 -0.6 . . . . 0.0 111.072 -174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.9 mt -66.53 -39.5 88.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.9 -43.91 86.43 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.74 0.305 . . . . 0.0 111.342 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.1 -41.82 89.05 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 121.171 -0.956 . . . . 0.0 109.635 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.2 -22.09 50.37 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.27 -0.871 . . . . 0.0 112.77 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD21 HD11 ' B' ' 13' ' ' LEU . 82.2 mt -70.27 -60.06 2.5 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 120.192 1.36 . . . . 0.0 108.781 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.6 -42.18 49.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -56.68 -57.42 12.48 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.971 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.46 -36.53 82.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 110.254 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.25 -32.87 71.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.293 1.037 . . . . 0.0 109.576 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -72.65 -41.31 65.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.287 0.494 . . . . 0.0 109.672 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.86 -53.22 60.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.67 -21.45 44.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 119.946 -0.701 . . . . 0.0 111.7 -170.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.5 tp -44.78 -44.44 9.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.108 0.867 . . . . 0.0 111.43 172.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.92 -43.97 64.43 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.195 -0.316 . . . . 0.0 110.371 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.43 -37.88 79.25 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.373 0.269 . . . . 0.0 110.942 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.0 -28.74 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 51.19 58.38 5.6 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.96 1.304 . . . . 0.0 112.519 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -128.83 118.17 19.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.38 -37.93 57.07 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.474 1.449 . . . . 0.0 110.796 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -47.59 -37.85 5.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.811 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -50.25 72.33 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 120.241 1.382 . . . . 0.0 108.923 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.57 69.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.65 -40.72 33.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.819 -1.175 . . . . 0.0 111.309 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 mt -56.06 -47.88 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -64.38 -26.71 68.58 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.162 -171.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.95 -51.98 16.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.607 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.57 -45.18 89.58 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.91 -48.6 64.11 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -52.71 16.42 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.155 0.982 . . . . 0.0 110.639 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -49.81 75.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.79 0.723 . . . . 0.0 111.345 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -38.27 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 mt -86.61 -21.3 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 125.918 1.687 . . . . 0.0 110.215 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.42 -42.2 91.28 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -48.3 -28.87 3.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 124.507 1.129 . . . . 0.0 112.784 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.9 mt -103.33 -22.96 13.61 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.042 1.337 . . . . 0.0 113.504 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -76.22 -66.3 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.84 1.305 . . . . 0.0 110.329 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -44.28 -45.97 8.91 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.42 1.888 . . . . 0.0 112.116 -173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' H ' HG22 ' A' ' 46' ' ' ILE . 1.6 tt -48.14 -52.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 128.783 2.833 . . . . 0.0 115.105 -162.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -145.47 83.02 1.65 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.86 -171.88 38.0 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 107.313 -2.315 . . . . 0.0 107.313 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 117.006 0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.1 -48.88 64.53 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 122.95 0.5 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.14 -49.49 32.11 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 125.802 1.641 . . . . 0.0 111.751 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.95 -43.35 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.275 1.036 . . . . 0.0 109.33 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -72.68 10.91 0.73 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.207 -0.933 . . . . 0.0 113.016 174.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -125.73 -76.88 0.58 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.723 1.209 . . . . 0.0 108.336 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' A' ' 20' ' ' ALA . 7.4 mp -68.02 6.78 0.65 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.742 2.017 . . . . 0.0 112.397 -173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -127.49 -56.31 1.31 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.225 1.41 . . . . 0.0 108.743 168.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -47.6 78.67 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.941 -1.099 . . . . 0.0 111.496 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.73 -14.07 61.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.943 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 18.2 mm-40 -79.92 -41.27 26.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.367 0.985 . . . . 0.0 108.903 173.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.2 -50.67 48.69 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.554 0.742 . . . . 0.0 110.663 -173.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -53.51 -35.46 60.67 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.647 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 13' ' ' LEU . 22.4 mt -72.77 -50.11 26.54 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.57 -37.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 118.992 0.814 . . . . 0.0 109.659 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.75 -51.9 55.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.629 -0.669 . . . . 0.0 110.914 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.63 -25.36 67.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.105 -0.997 . . . . 0.0 111.166 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 6' ' ' LEU . 1.8 m-85 -64.36 -33.75 76.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.668 1.587 . . . . 0.0 108.731 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -71.59 -47.31 55.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -52.68 -43.14 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.887 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB1' ' O ' ' A' ' 2' ' ' TYR . . . -71.39 -48.31 50.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 121.826 -0.546 . . . . 0.0 111.374 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 tp -46.93 -39.96 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.166 0.986 . . . . 0.0 111.616 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.9 -37.13 70.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.745 0.702 . . . . 0.0 111.204 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -47.1 77.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 173.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.85 -20.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -161.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.96 58.84 4.92 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.161 1.384 . . . . 0.0 112.575 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tt -134.87 118.46 13.26 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -58.48 -41.65 63.0 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.353 2.035 . . . . 0.0 111.622 -171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.25 -34.28 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.367 0.667 . . . . 0.0 111.716 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.39 -54.46 43.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.606 1.094 . . . . 0.0 110.105 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.59 71.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.097 0.475 . . . . 0.0 110.515 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -70.61 -33.79 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 120.9 -1.125 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.61 -51.5 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.58 HD12 ' C ' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -35.53 67.8 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.708 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.55 -53.59 49.38 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 119.04 0.837 . . . . 0.0 109.799 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.12 -50.01 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -50.71 -50.34 55.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.8 -45.38 40.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.783 0.833 . . . . 0.0 110.97 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -63.41 -48.55 77.34 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.599 0.636 . . . . 0.0 111.003 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -56.42 -43.88 79.84 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 120.905 -1.122 . . . . 0.0 110.798 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 54.1 mt -63.24 -44.45 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 124.943 1.297 . . . . 0.0 108.852 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.27 -35.54 65.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.879 1.272 . . . . 0.0 109.858 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -53.51 -38.43 63.72 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.142 0.496 . . . . 0.0 111.275 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.45 -30.63 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.084 -1.01 . . . . 0.0 111.469 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.9 28.09 0.82 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.583 1.083 . . . . 0.0 111.584 172.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 -46.28 0.27 Allowed 'General case' 0 C--N 1.333 -0.114 0 O-C-N 121.516 -0.74 . . . . 0.0 109.847 174.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 46.26 37.88 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 127.078 2.151 . . . . 0.0 112.019 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -15.1 39.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.404 -0.81 . . . . 0.0 111.662 -171.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 -93.77 1.04 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 CA-C-N 117.478 0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.611 ' O ' ' HB2' ' A' ' 1' ' ' ASP . . . . . . . . 0 C--O 1.223 -0.332 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 0' ' ' ACE . 23.9 t70 165.61 -43.48 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.405 0 O-C-N 118.177 -2.827 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -84.7 -56.04 3.8 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 154.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.77 -14.23 42.46 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -49.76 -39.97 39.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.496 1.044 . . . . 0.0 111.606 170.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.87 4.54 25.12 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 111.013 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' B' ' 17' ' ' TYR . 91.2 mt -126.53 39.99 3.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.215 1.406 . . . . 0.0 108.623 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.76 -52.93 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 120.884 -1.135 . . . . 0.0 110.386 170.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -67.17 -48.09 69.01 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.791 0.805 . . . . 0.0 109.72 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.41 -44.86 95.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.951 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -55.2 -45.42 75.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -41.71 89.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -51.61 -28.89 15.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.232 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 13' ' ' LEU . 80.6 mt -69.3 -61.47 1.78 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.601 1.161 . . . . 0.0 109.318 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.1 -36.72 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -61.73 -56.85 15.25 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.448 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -67.32 -30.44 70.28 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.595 -0.691 . . . . 0.0 110.439 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.73 -37.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.303 1.041 . . . . 0.0 110.097 174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.7 -36.43 62.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.41 -55.07 38.02 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -71.86 -30.15 65.13 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.154 -168.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -40.41 -51.35 2.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.775 1.23 . . . . 0.0 112.002 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -72.51 -41.27 66.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 117.751 0.251 . . . . 0.0 110.735 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.83 -33.12 73.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 122.447 -0.158 . . . . 0.0 111.242 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -86.28 -32.65 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 53.59 61.21 3.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.456 1.102 . . . . 0.0 111.436 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -145.49 121.19 5.8 Favored Pre-proline 0 C--O 1.234 0.242 0 O-C-N 121.412 -0.805 . . . . 0.0 109.135 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.06 39.29 0.65 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.053 2.502 . . . . 0.0 111.642 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -107.96 -44.14 6.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 170.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.79 -44.63 82.1 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.2 -27.45 68.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.93 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -81.79 -41.5 21.06 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.454 0.645 . . . . 0.0 109.932 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.97 -46.64 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -62.73 -36.97 84.71 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -172.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.2 tm-20 -60.34 -54.95 39.56 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.133 0.973 . . . . 0.0 109.89 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.54 -54.98 34.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -49.16 -44.4 42.74 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.06 0.544 . . . . 0.0 110.575 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -49.75 35.39 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 123.664 0.785 . . . . 0.0 110.903 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.5 -46.35 86.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.522 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' HB3' ' CG2' ' B' ' 32' ' ' ILE . 66.9 m-70 -50.34 -43.51 54.07 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 111.118 175.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 mt -80.73 -33.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 110.051 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -51.24 -41.72 60.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.975 1.31 . . . . 0.0 107.856 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -42.59 -48.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.249 0.62 . . . . 0.0 111.868 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.86 -51.39 26.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.193 0.997 . . . . 0.0 108.899 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 30.51 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.45 0.7 . . . . 0.0 112.861 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 t -154.59 -44.23 0.09 Allowed 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 121.537 -0.727 . . . . 0.0 109.239 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 tp 44.56 45.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 126.48 1.912 . . . . 0.0 110.76 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.01 95.23 9.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.413 -0.805 . . . . 0.0 109.051 -170.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.73 34.41 2.41 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 CA-C-N 117.24 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -36.61 -63.68 0.39 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 127.015 2.126 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -50.98 -47.3 61.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.22 1.008 . . . . 0.0 112.017 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.23 -46.34 84.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.677 -0.639 . . . . 0.0 110.058 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -78.04 14.99 0.98 Allowed 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.417 -0.802 . . . . 0.0 112.452 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -120.55 -69.39 0.85 Allowed 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -70.04 0.3 6.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.553 1.141 . . . . 0.0 112.55 -170.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.95 -53.65 1.85 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.597 1.559 . . . . 0.0 109.05 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -44.44 87.0 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.701 -1.249 . . . . 0.0 110.576 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.56 -11.02 60.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.974 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 22.6 mm-40 -83.12 -43.78 15.84 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 119.073 0.851 . . . . 0.0 109.501 170.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.44 -42.75 78.61 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.511 -0.743 . . . . 0.0 110.71 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -55.01 -36.4 65.42 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.812 -0.555 . . . . 0.0 112.412 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.467 HD11 HD21 ' A' ' 13' ' ' LEU . 35.4 mt -65.14 -37.76 88.45 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . 0.284 10.5 mm -60.83 -52.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 120.361 1.437 . . . . 0.0 110.018 -174.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -42.2 -59.08 1.91 Allowed 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 128.51 2.724 . . . . 0.0 111.748 158.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.06 -34.41 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.231 1.378 . . . . 0.0 110.533 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.787 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 m-85 -65.7 -49.1 69.77 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -60.2 -48.06 83.33 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 109.142 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -55.85 -25.48 42.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.369 1.467 . . . . 0.0 111.375 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.08 23.8 9.77 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.997 0.817 . . . . 0.0 112.419 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -65.06 0.99 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.05 -30.19 16.16 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.339 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -56.78 -24.94 54.0 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.907 0.883 . . . . 0.0 111.07 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' B' ' 25' ' ' LYS . 1.7 p -88.69 -92.56 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' B' ' 24' ' ' VAL . 15.1 ptmt 173.38 26.85 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.556 1.543 . . . . 0.0 111.836 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.64 83.55 42.02 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 119.79 1.177 . . . . 0.0 111.891 -167.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -54.78 -33.39 80.66 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.037 1.824 . . . . 0.0 113.393 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.7 -36.51 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.79 -38.53 78.75 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.66 -0.65 . . . . 0.0 109.772 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.79 73.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.269 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -71.72 -38.7 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.074 -1.05 . . . . 0.0 111.919 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 39' ' ' HIS . 61.6 mt -63.83 -53.3 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.605 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.42 -38.54 80.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.437 -177.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.3 -49.07 79.06 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 118.882 0.765 . . . . 0.0 109.25 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -53.32 -54.45 36.35 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.291 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -49.43 -47.08 48.38 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.861 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -37.42 28.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.748 1.158 . . . . 0.0 111.337 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -70.5 -45.51 65.51 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.776 -0.578 . . . . 0.0 111.583 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.65 -43.13 80.03 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.256 -0.902 . . . . 0.0 110.381 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 46.9 mt -63.48 -44.64 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.27 1.028 . . . . 0.0 108.365 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.36 -36.06 60.96 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.98 0.512 . . . . 0.0 111.071 175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -53.34 -38.22 63.05 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.722 0.772 . . . . 0.0 111.97 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.69 -36.51 80.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.772 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -81.93 35.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.386 1.448 . . . . 0.0 112.125 170.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -47.08 0.16 Allowed 'General case' 0 C--O 1.227 -0.08 0 O-C-N 121.286 -0.884 . . . . 0.0 111.171 173.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 tp 37.88 63.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.357 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp 57.66 65.81 1.26 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.516 0.726 . . . . 0.0 109.741 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.2 70.73 0.8 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.899 -0.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.52 -23.06 64.27 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' B' ' 20' ' ' ALA . 0.1 OUTLIER -10.46 -53.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.931 2.492 . . . . 0.0 113.759 155.15 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 3.5 mp -49.68 -31.84 11.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.353 0.979 . . . . 0.0 113.47 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -46.42 -38.45 9.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.048 0.939 . . . . 0.0 111.241 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' HB2' HD12 ' A' ' 6' ' ' LEU . 52.0 mt-10 -68.26 -26.33 65.62 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 110.199 -175.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' B' ' 20' ' ' ALA . 5.9 mp -95.43 1.02 53.97 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.334 1.054 . . . . 0.0 110.059 -172.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.0 -50.92 0.71 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.08 0.952 . . . . 0.0 112.004 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -70.12 -37.08 75.22 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 121.094 -1.004 . . . . 0.0 109.374 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.25 -46.82 75.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 13' ' ' LEU . 62.3 mm-40 -51.93 -41.32 61.93 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.61 0.641 . . . . 0.0 111.96 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.21 -43.26 61.35 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 110.709 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.76 -30.55 70.09 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 121.884 -0.51 . . . . 0.0 111.297 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' B' ' 10' ' ' GLU . 30.0 mt -72.88 -46.24 53.88 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 123.592 0.757 . . . . 0.0 109.538 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -42.85 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 119.068 0.849 . . . . 0.0 108.957 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.36 -49.98 72.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.07 -31.86 72.99 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.674 -0.641 . . . . 0.0 111.355 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -66.75 -32.36 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.265 -0.897 . . . . 0.0 109.015 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -71.95 -48.51 44.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.249 0.931 . . . . 0.0 109.205 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -49.23 -47.11 46.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.467 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -82.33 -32.37 29.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.878 -0.582 . . . . 0.0 112.058 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -46.19 -48.58 17.57 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.002 1.321 . . . . 0.0 111.797 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -66.0 -49.24 68.48 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.11 -34.19 74.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.96 -26.76 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.751 0.821 . . . . 0.0 111.461 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 mttt 56.8 49.24 14.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.187 0.995 . . . . 0.0 111.684 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CH2' ' B' ' 42' ' ' TRP . 45.4 tp -126.86 108.19 22.36 Favored Pre-proline 0 CA--C 1.535 0.386 0 O-C-N 120.973 -1.079 . . . . 0.0 110.029 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.81 -35.48 98.56 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 CA-C-N 121.356 1.52 . . . . 0.0 112.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.57 -36.19 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.573 -0.704 . . . . 0.0 111.488 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -31.01 69.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.75 65.35 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 119.424 1.011 . . . . 0.0 109.398 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -73.95 -41.71 61.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.356 1.074 . . . . 0.0 110.248 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -49.24 -61.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 127.98 2.512 . . . . 0.0 106.383 167.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -66.75 -30.31 70.5 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.211 -169.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.37 -49.78 74.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.019 0.528 . . . . 0.0 110.086 171.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -57.59 -49.34 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.096 0.558 . . . . 0.0 109.784 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -54.84 -50.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -49.68 14.77 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.008 0.822 . . . . 0.0 111.312 174.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -47.77 84.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.086 0.554 . . . . 0.0 110.698 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -56.9 -40.35 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.721 -0.612 . . . . 0.0 111.727 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.12 -35.15 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.973 1.309 . . . . 0.0 109.537 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -42.58 70.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.573 1.549 . . . . 0.0 107.672 177.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -46.46 -41.1 13.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.02 -41.03 29.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.382 -0.824 . . . . 0.0 110.803 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.99 38.93 0.22 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.781 -1.199 . . . . 0.0 111.737 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.86 -28.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.637 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 tp -55.55 98.15 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.285 0.564 . . . . 0.0 110.822 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 65.68 164.27 0.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.764 1.626 . . . . 0.0 110.969 -169.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.76 174.22 45.15 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 117.265 0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -49.99 -60.99 2.41 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.707 0.803 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -36.27 -55.03 0.81 Allowed 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 126.169 1.788 . . . . 0.0 111.129 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.77 -52.31 60.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -56.15 -24.54 41.76 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.867 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.43 -66.85 0.82 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 mp -63.61 -0.73 1.03 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.867 0.867 . . . . 0.0 111.38 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.6 tp -104.02 -65.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.975 1.31 . . . . 0.0 110.613 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.97 -39.78 93.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 120.617 -1.302 . . . . 0.0 110.679 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.12 -36.83 82.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 13' ' ' LEU . 69.8 mm-40 -67.01 -50.9 60.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.896 0.855 . . . . 0.0 109.85 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.09 -46.47 79.05 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.672 0.789 . . . . 0.0 110.191 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -52.75 -46.64 67.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.215 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -49.82 73.21 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.294 1.038 . . . . 0.0 108.641 -175.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.05 -37.07 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 119.006 0.821 . . . . 0.0 110.159 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.68 -49.17 72.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -36.99 79.83 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.145 -0.972 . . . . 0.0 110.443 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.37 -41.5 89.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.877 1.271 . . . . 0.0 109.5 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -67.63 -44.92 76.85 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -52.34 -47.52 66.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.89 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.706 ' CB ' HD11 ' A' ' 6' ' ' LEU . . . -78.64 -31.03 46.71 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.142 -0.349 . . . . 0.0 110.934 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -53.24 2.36 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.983 1.713 . . . . 0.0 112.191 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.16 -37.43 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.396 0.678 . . . . 0.0 110.824 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.96 -38.61 82.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.07 -30.51 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt 48.4 61.27 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.443 1.497 . . . . 0.0 113.224 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.14 118.7 11.06 Favored Pre-proline 0 CA--C 1.529 0.141 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 169.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -60.74 -28.59 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.435 1.423 . . . . 0.0 111.095 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.73 -41.93 40.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 O-C-N 121.99 -0.444 . . . . 0.0 111.046 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.65 -45.23 77.67 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.357 -0.84 . . . . 0.0 109.492 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.8 82.82 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.883 -0.511 . . . . 0.0 110.269 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -66.35 -37.63 85.77 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.894 -0.504 . . . . 0.0 110.151 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.18 -49.24 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -36.94 75.19 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -58.57 -56.65 19.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.504 0.593 . . . . 0.0 110.288 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -50.83 -54.0 27.44 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -52.18 -51.96 54.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.874 0.869 . . . . 0.0 109.444 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.79 -45.18 14.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.537 1.062 . . . . 0.0 111.593 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -63.79 -49.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.048 -0.407 . . . . 0.0 110.7 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -56.94 -28.2 61.87 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.384 -0.823 . . . . 0.0 111.807 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.9 mt -80.6 -42.57 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.754 0.822 . . . . 0.0 108.831 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -50.41 -37.04 35.69 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.455 1.102 . . . . 0.0 110.539 171.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . 0.441 ' CH2' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -46.36 -41.3 13.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 110.474 174.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.03 -41.42 50.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.251 1.02 . . . . 0.0 110.264 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.43 28.62 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.473 0.709 . . . . 0.0 112.222 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.08 -49.82 0.12 Allowed 'General case' 0 C--N 1.333 -0.145 0 O-C-N 121.178 -0.951 . . . . 0.0 108.503 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 tp 48.81 36.67 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.128 1.371 . . . . 0.0 112.963 164.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 tp -30.53 -56.31 0.2 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.589 2.356 . . . . 0.0 114.243 -170.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.21 63.07 0.32 Allowed Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 108.194 -1.962 . . . . 0.0 108.194 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 O-C-N 122.603 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -155.67 -65.61 0.12 Allowed 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 128.389 2.676 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -22.36 -49.38 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 130.044 3.338 . . . . 0.0 113.802 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 mt -130.39 -30.4 1.92 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.034 0.934 . . . . 0.0 112.265 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -55.18 -27.16 43.77 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.043 -1.036 . . . . 0.0 111.66 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -108.46 -28.88 9.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.244 0.618 . . . . 0.0 110.537 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.86 37.97 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.862 0.755 . . . . 0.0 111.434 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -153.04 -70.36 0.15 Allowed 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.679 -1.263 . . . . 0.0 111.15 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.81 -49.08 69.54 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.017 -1.052 . . . . 0.0 109.065 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.64 -33.72 76.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.259 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' OE1' HD13 ' B' ' 13' ' ' LEU . 60.8 mm-40 -60.62 -55.12 37.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.485 0.659 . . . . 0.0 110.406 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.33 -45.2 95.43 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -167.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -57.8 -21.51 42.33 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.355 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 13' ' ' LEU . 2.7 mt -77.04 -49.76 14.62 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 120.657 1.571 . . . . 0.0 109.572 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.8 -55.61 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -49.34 -49.94 41.96 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -66.72 -34.37 77.69 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.066 -1.021 . . . . 0.0 110.735 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.5 m-85 -61.22 -33.55 73.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -70.92 -43.08 68.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.08 -47.49 74.81 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.536 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' B' ' 6' ' ' LEU . . . -79.44 -28.35 41.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.375 -172.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.0 tp -36.89 -56.31 0.87 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.095 1.358 . . . . 0.0 113.235 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.48 -28.53 56.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.02 0.928 . . . . 0.0 112.032 -173.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.16 -37.73 88.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 170.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.45 -25.7 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 122.286 -0.259 . . . . 0.0 111.354 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt 64.51 29.16 13.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.356 1.462 . . . . 0.0 111.759 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 tp -120.59 107.45 38.6 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 121.637 -0.664 . . . . 0.0 109.89 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.19 -27.64 64.61 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.495 1.463 . . . . 0.0 111.401 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.05 -36.93 52.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.085 -1.01 . . . . 0.0 110.834 170.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -43.59 95.38 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 120.299 1.409 . . . . 0.0 108.085 173.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.99 80.46 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 118.739 -1.185 . . . . 0.0 109.277 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.53 -43.59 80.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.538 -0.726 . . . . 0.0 110.391 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.16 -45.9 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -67.0 -31.33 71.82 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.528 -172.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.0 tm-20 -63.34 -51.05 67.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.98 -50.39 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.862 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.07 -43.39 61.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.05 32.22 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 124.897 1.279 . . . . 0.0 111.093 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -61.6 -51.65 67.66 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.492 0.587 . . . . 0.0 111.431 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -55.8 -42.9 76.31 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.515 -0.741 . . . . 0.0 110.367 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.44 -35.38 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.9 -44.93 63.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -47.98 -39.99 21.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.052 0.541 . . . . 0.0 111.2 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -91.51 -13.31 32.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.846 0.858 . . . . 0.0 112.677 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -85.52 -62.31 1.56 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.637 1.208 . . . . 0.0 109.34 170.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -47.02 -44.16 20.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.177 -1.829 . . . . 0.0 111.795 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 tt -39.88 -45.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 127.944 2.497 . . . . 0.0 113.859 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -74.67 99.72 3.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -38.05 83.45 0.0 OUTLIER Glycine 0 CA--C 1.529 0.944 0 C-N-CA 127.228 2.347 . . . . 0.0 114.551 -171.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.923 0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -144.13 -60.64 0.39 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.507 1.123 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -26.9 -67.0 0.06 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 127.062 2.145 . . . . 0.0 112.345 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.18 -15.07 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -67.15 -30.43 70.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.372 -0.83 . . . . 0.0 109.934 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.91 -171.76 2.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.565 1.546 . . . . 0.0 108.652 -176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 20' ' ' ALA . 8.4 mp 62.97 3.0 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.49 1.516 . . . . 0.0 112.507 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 44' ' ' GLU . 26.7 tp -148.43 -62.2 0.25 Allowed 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.33 1.052 . . . . 0.0 109.968 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.72 -49.44 76.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.478 1.133 . . . . 0.0 108.363 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.59 -45.06 73.55 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.748 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -60.81 -46.37 90.78 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.085 0.469 . . . . 0.0 110.44 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.15 -41.26 71.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.976 -0.453 . . . . 0.0 110.182 -175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.24 72.79 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.671 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 13' ' ' LEU . 71.8 mt -57.87 -50.34 73.66 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.3 mm -64.52 -3.01 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 O-C-N 121.331 -0.855 . . . . 0.0 113.019 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -106.74 -49.64 3.27 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -63.96 -29.19 70.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.609 0.764 . . . . 0.0 110.101 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.47 -42.35 78.86 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.62 1.568 . . . . 0.0 109.784 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -73.34 -39.62 65.07 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.62 -50.62 73.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.729 0.812 . . . . 0.0 109.124 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.039 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 tp -43.16 -43.11 4.44 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.051 0.94 . . . . 0.0 111.735 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.38 -42.31 36.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.154 0.582 . . . . 0.0 111.458 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.02 -38.63 73.42 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.405 0.282 . . . . 0.0 110.755 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.33 -35.94 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.104 0.561 . . . . 0.0 110.889 -172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.3 mttt 52.58 69.18 0.72 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.166 1.387 . . . . 0.0 112.003 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.02 124.92 14.52 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.23 -37.11 33.19 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.686 1.591 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 t -51.44 -36.72 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.81 -53.6 56.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 123.276 0.631 . . . . 0.0 110.882 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.1 -33.57 69.25 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.491 -0.756 . . . . 0.0 111.453 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.97 78.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.827 -1.171 . . . . 0.0 110.958 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.42 -53.93 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.585 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -61.0 -35.46 76.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.618 -176.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.12 -48.85 76.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.473 1.033 . . . . 0.0 110.167 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.36 -51.5 68.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.85 -44.69 82.41 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 111.616 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.55 -42.33 61.74 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 125.206 1.402 . . . . 0.0 108.122 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -66.34 -45.37 80.43 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.774 0.716 . . . . 0.0 111.631 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -54.98 -41.46 71.23 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.712 -0.618 . . . . 0.0 111.866 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.02 -38.76 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.358 1.063 . . . . 0.0 108.956 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -36.41 47.81 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.493 1.117 . . . . 0.0 109.615 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -49.8 -46.19 50.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 122.861 0.464 . . . . 0.0 111.759 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.49 -45.2 63.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.473 ' CG ' HD11 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -71.26 26.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.171 1.388 . . . . 0.0 113.401 176.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -154.06 -45.09 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.114 -0.991 . . . . 0.0 108.727 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 tp 44.56 48.66 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.753 2.021 . . . . 0.0 111.25 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 60.01 3.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 110.072 -173.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.57 66.68 0.03 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 122.58 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.211 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -97.17 -67.05 0.86 Allowed 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HD1' ' HB1' ' B' ' 20' ' ' ALA . 0.8 OUTLIER -37.83 -62.05 0.58 Allowed 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.84 1.256 . . . . 0.0 111.044 176.039 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 0.4 OUTLIER -88.95 40.42 0.98 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.209 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -50.21 60.06 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 172.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -114.36 -25.06 8.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.042 0.937 . . . . 0.0 111.693 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD21 ' CB ' ' B' ' 20' ' ' ALA . 3.8 mp -69.51 2.83 2.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.366 1.066 . . . . 0.0 112.032 -166.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.93 -50.7 2.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.898 1.279 . . . . 0.0 110.734 174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -69.52 -44.86 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.328 -0.857 . . . . 0.0 110.187 -169.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.74 -45.75 88.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -50.22 -52.85 32.4 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.175 1.39 . . . . 0.0 109.454 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.77 -52.35 65.45 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.665 -0.647 . . . . 0.0 110.813 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.0 -39.97 57.03 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 122.979 0.512 . . . . 0.0 111.271 -176.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -52.39 58.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.447 0.699 . . . . 0.0 109.562 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.12 -43.8 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -54.06 -53.4 53.6 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.047 0.451 . . . . 0.0 111.039 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -28.98 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.52 -0.738 . . . . 0.0 110.912 -173.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.55 -38.68 91.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -45.96 70.88 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.33 -46.32 62.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.096 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' B' ' 6' ' ' LEU . . . -75.22 -28.24 59.86 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.577 -0.702 . . . . 0.0 112.443 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.52 -41.63 41.6 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.553 1.07 . . . . 0.0 112.283 -174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.28 -34.69 73.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.248 1.019 . . . . 0.0 111.208 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -70.88 -39.73 72.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.989 0.515 . . . . 0.0 109.625 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.52 -27.77 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 122.06 0.144 . . . . 0.0 111.112 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt 47.47 65.36 1.29 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.363 1.865 . . . . 0.0 113.041 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.47 128.98 8.47 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.89 -20.83 70.77 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 CA-C-N 120.262 1.129 . . . . 0.0 111.051 171.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.2 -33.93 17.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-N 119.466 1.03 . . . . 0.0 110.567 169.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.26 -55.84 12.28 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 121.081 1.764 . . . . 0.0 108.488 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.91 -49.71 48.85 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.252 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.256 10.9 mptt -70.76 -31.01 67.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.385 -1.326 . . . . 0.0 111.993 -174.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.79 -47.1 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 116.837 -1.945 . . . . 0.0 108.944 172.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.86 -38.0 82.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.853 0.835 . . . . 0.0 109.197 -163.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.51 -49.83 64.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.09 1.356 . . . . 0.0 110.912 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.17 -48.12 83.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.954 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.47 -44.74 62.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.502 0.721 . . . . 0.0 110.904 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -45.36 53.41 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 123.525 0.73 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -70.06 -43.86 70.34 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.536 -0.727 . . . . 0.0 111.59 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -53.17 -42.95 66.69 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.033 -0.417 . . . . 0.0 110.624 175.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.36 -46.9 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.864 1.265 . . . . 0.0 108.898 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.68 -41.56 10.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.398 0.679 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.47 -46.26 47.81 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.31 -45.18 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.03 0.932 . . . . 0.0 109.45 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.8 22.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 t -146.17 -54.15 0.26 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.295 10.6 tp 57.2 157.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.946 2.898 . . . . 0.0 112.03 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.53 77.3 1.06 Allowed 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.05 -1.656 . . . . 0.0 107.497 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.7 -49.93 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.048 0 CA-C-N 117.485 0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.0 -52.97 17.72 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.875 0.87 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.32 -48.27 71.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.444 0.698 . . . . 0.0 110.23 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.85 -51.55 66.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.844 -0.535 . . . . 0.0 111.154 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -60.07 -16.47 31.88 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.869 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.81 -71.11 0.63 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mp -61.4 -16.18 43.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.385 1.074 . . . . 0.0 111.055 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 tp -95.74 -58.21 2.17 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 120.003 1.274 . . . . 0.0 110.926 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -64.27 -46.36 84.06 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.094 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.0 -36.2 82.77 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 6.6 mm-40 -60.59 -50.6 72.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.311 0.645 . . . . 0.0 110.896 171.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.21 -47.24 54.92 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.55 -0.719 . . . . 0.0 110.628 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -51.76 -31.82 28.26 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.61 -56.47 10.58 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.703 1.138 . . . . 0.0 108.755 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 33' ' ' LEU . 1.3 mp -57.6 -37.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -61.14 -54.29 46.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.102 0.961 . . . . 0.0 109.129 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.82 -32.89 73.75 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.822 -0.549 . . . . 0.0 111.061 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.454 ' HB3' HD22 ' B' ' 33' ' ' LEU . 22.2 m-85 -60.22 -40.57 90.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.823 1.649 . . . . 0.0 108.521 172.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.75 -48.16 69.96 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.468 0.576 . . . . 0.0 109.465 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -50.49 -47.73 57.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.661 ' CB ' HD21 ' A' ' 6' ' ' LEU . . . -77.27 -22.73 51.64 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.726 -0.609 . . . . 0.0 111.545 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -44.84 63.91 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.098 0.959 . . . . 0.0 110.479 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.15 -35.2 61.66 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -35.91 78.97 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.948 0.899 . . . . 0.0 110.246 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 2' ' ' TYR . 49.7 t -106.45 -43.35 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm 63.62 45.86 4.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.463 1.505 . . . . 0.0 112.173 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 118.1 54.19 Favored Pre-proline 0 CA--C 1.535 0.368 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 170.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -61.32 -29.78 86.54 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.691 1.594 . . . . 0.0 111.583 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 73.5 t -43.82 -41.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.268 0 C-N-CA 123.224 0.61 . . . . 0.0 110.801 173.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.3 -49.06 79.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . . . -61.33 -38.6 87.49 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -67.33 -46.14 74.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.389 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.04 -51.31 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.617 ' C ' HD12 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -66.08 -35.09 79.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.216 -168.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.59 -48.83 78.3 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.632 1.173 . . . . 0.0 108.365 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -52.64 39.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.177 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.84 -51.47 67.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.263 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.2 -47.43 3.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.683 1.193 . . . . 0.0 111.746 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -63.09 -44.86 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.592 -0.693 . . . . 0.0 112.532 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -56.14 -37.59 69.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.325 -0.859 . . . . 0.0 111.282 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 35.0 mt -73.71 -40.35 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -40.78 47.81 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.387 0.675 . . . . 0.0 110.591 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -54.61 -43.38 72.17 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 119.427 -0.909 . . . . 0.0 113.44 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.17 -36.54 77.82 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.324 -0.86 . . . . 0.0 109.275 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -78.42 29.29 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 171.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.37 -42.29 0.1 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 120.407 -1.433 . . . . 0.0 111.94 177.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . 0.28 4.7 tp 43.51 50.27 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 127.784 2.434 . . . . 0.0 111.742 173.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -50.85 127.66 19.06 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.8 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.66 -45.96 1.14 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -171.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.015 0 CA-C-N 117.198 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.21 -44.12 32.67 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.649 0.78 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -41.82 -44.15 3.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.567 1.547 . . . . 0.0 112.14 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.43 -48.24 82.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.022 -0.424 . . . . 0.0 110.788 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -63.48 -16.81 61.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.862 -0.589 . . . . 0.0 111.543 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.65 -64.04 1.21 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' B' ' 20' ' ' ALA . 7.0 mp -74.93 11.52 1.07 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.618 1.567 . . . . 0.0 112.263 -174.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.2 tp -118.28 -48.97 2.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.987 0.915 . . . . 0.0 110.668 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.3 -46.27 64.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -167.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.38 -51.45 64.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -53.46 -49.95 66.32 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.883 1.273 . . . . 0.0 108.085 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -56.48 -49.95 73.19 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.937 0.495 . . . . 0.0 110.375 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -39.13 71.21 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.15 -0.453 . . . . 0.0 110.847 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -42.75 78.95 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.665 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.25 -50.69 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.441 1.115 . . . . 0.0 110.236 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -49.45 -52.55 28.26 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.008 1.723 . . . . 0.0 110.118 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -38.47 88.13 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.57 -0.706 . . . . 0.0 109.962 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.3 m-85 -64.2 -38.11 89.88 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.181 1.392 . . . . 0.0 108.467 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -70.93 -43.49 68.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.987 0.915 . . . . 0.0 109.023 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -53.12 -50.88 63.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' HD11 ' B' ' 6' ' ' LEU . . . -76.23 -37.34 57.81 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.294 -172.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 tp -38.97 -53.39 1.76 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 125.902 1.681 . . . . 0.0 112.205 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -73.41 -38.41 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.672 0.389 . . . . 0.0 110.812 -172.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.72 -38.3 87.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.96 -29.04 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 111.487 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 59.46 45.91 13.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.321 1.449 . . . . 0.0 112.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.3 115.3 28.76 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.458 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.2 -33.95 47.35 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 121.761 1.64 . . . . 0.0 112.301 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -40.15 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.016 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -48.57 81.14 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.964 0.906 . . . . 0.0 109.676 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.62 87.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.99 -0.444 . . . . 0.0 110.441 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -67.7 -42.01 82.69 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 120.817 -1.177 . . . . 0.0 111.453 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.89 -57.68 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -64.3 -31.43 72.63 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.503 -169.191 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.05 -50.63 72.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.198 0.599 . . . . 0.0 109.737 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.02 -45.46 90.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.258 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.57 -48.25 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -47.52 62.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.014 0.926 . . . . 0.0 111.212 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -60.01 -49.8 76.26 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.615 0.643 . . . . 0.0 111.403 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -54.21 -45.09 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.045 -0.409 . . . . 0.0 110.84 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.77 -37.25 77.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.376 1.47 . . . . 0.0 108.228 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.33 -39.59 67.21 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.177 0.591 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -52.07 -45.88 64.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 122.879 1.323 . . . . 0.0 112.501 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.62 -8.61 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.647 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.85 -24.74 24.82 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.283 1.401 . . . . 0.0 112.437 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 -19.21 15.87 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 125.358 1.463 . . . . 0.0 111.927 -165.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 tp -43.59 101.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 126.567 1.947 . . . . 0.0 111.11 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 -53.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.02 -41.49 1.78 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -132.64 -96.05 0.32 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.658 1.983 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -35.6 -52.71 0.68 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.457 1.903 . . . . 0.0 112.916 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.11 -52.45 65.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.922 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -58.21 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.037 -0.414 . . . . 0.0 110.124 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.25 -39.23 49.11 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -169.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.545 HD11 ' CB ' ' A' ' 20' ' ' ALA . 7.3 mp -97.78 28.94 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.431 1.092 . . . . 0.0 109.565 174.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 tp -135.45 -63.15 0.68 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.285 -0.884 . . . . 0.0 110.699 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -67.22 -44.62 79.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 121.335 -0.853 . . . . 0.0 109.867 -173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 mt -55.21 -44.65 75.57 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 171.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' B' ' 40' ' ' ILE . 50.7 mm-40 -59.42 -42.77 92.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.461 0.573 . . . . 0.0 110.934 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.61 -44.09 76.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.695 0.798 . . . . 0.0 109.319 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -31.36 65.06 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.437 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.79 -58.44 5.64 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 120.204 1.365 . . . . 0.0 108.398 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.23 -51.79 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 122.545 1.164 . . . . 0.0 108.72 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -52.44 -53.93 38.91 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.385 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.91 78.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.716 -0.615 . . . . 0.0 110.029 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.23 -38.07 89.72 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.856 0.863 . . . . 0.0 108.95 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.5 mtp-105 -68.4 -46.45 69.94 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -53.83 -50.3 66.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -76.59 -18.24 58.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.805 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -44.92 -55.72 5.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.842 1.257 . . . . 0.0 113.072 -171.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.2 -20.32 28.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.435 0.694 . . . . 0.0 111.459 -172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.37 -39.82 92.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -94.0 -24.05 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.621 -174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttm 56.98 71.13 0.59 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.674 1.19 . . . . 0.0 111.905 175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.48 128.21 3.87 Favored Pre-proline 0 CA--C 1.535 0.398 0 O-C-N 120.818 -1.176 . . . . 0.0 112.963 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.38 -25.81 48.65 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 121.613 1.542 . . . . 0.0 112.197 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 t -57.81 -43.49 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 119.796 1.18 . . . . 0.0 109.401 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.01 -56.26 23.19 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -43.49 65.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.295 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -72.91 -29.21 62.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 121.388 -0.82 . . . . 0.0 111.049 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -69.32 -44.01 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 117.281 -1.768 . . . . 0.0 106.389 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 34' ' ' GLU 0.261 0.1 OUTLIER -60.0 -37.03 78.51 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 123.825 0.703 . . . . 0.0 109.525 -174.501 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.477 ' N ' HD12 ' B' ' 33' ' ' LEU . 31.5 tt0 -66.43 -52.26 48.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.071 0.462 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.1 -45.94 82.99 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.618 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.23 -44.07 64.62 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 123.275 0.359 . . . . 0.0 110.063 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -47.84 26.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.28 -42.58 88.21 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.298 -0.876 . . . . 0.0 112.42 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -57.9 -42.24 84.26 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.462 -0.773 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' B' ' 10' ' ' GLU . 55.6 mt -67.41 -47.43 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -40.36 13.89 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.081 . . . . 0.0 112.709 175.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -53.75 -40.29 66.03 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.717 1.144 . . . . 0.0 111.522 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.4 -12.02 48.17 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.04 -3.51 34.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.487 1.115 . . . . 0.0 111.671 171.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -40.52 6.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.479 1.112 . . . . 0.0 108.804 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -43.87 114.74 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.619 1.568 . . . . 0.0 114.082 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.2 55.66 3.6 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.143 -0.973 . . . . 0.0 109.48 170.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.0 -148.84 45.55 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 121.853 -0.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -45.13 -55.23 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.164 0.986 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -56.26 -29.1 60.63 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.733 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.9 mt -68.24 -12.23 60.65 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.586 0.63 . . . . 0.0 112.208 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -72.6 -26.49 61.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.097 0.862 . . . . 0.0 111.208 169.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -84.13 -172.38 4.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 43' ' ' LEU . 50.0 mt 55.48 27.45 10.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.681 0.792 . . . . 0.0 112.16 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -152.27 -58.04 0.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.986 -1.071 . . . . 0.0 110.17 171.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -61.24 -43.32 99.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.688 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.55 -39.88 95.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.62 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.86 -35.15 79.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.06 -38.26 67.8 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.638 -0.664 . . . . 0.0 110.781 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.48 -31.92 68.29 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.921 -0.487 . . . . 0.0 111.137 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' B' ' 13' ' ' LEU . 41.0 mt -69.15 -54.33 15.48 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -174.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.75 -42.27 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -57.86 -54.61 44.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.07 -1.018 . . . . 0.0 111.477 170.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -60.92 -32.83 72.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.75 -0.594 . . . . 0.0 110.794 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 33' ' ' LEU . 4.7 m-85 -65.71 -37.76 87.32 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.336 1.454 . . . . 0.0 108.461 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -71.6 -44.41 64.49 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.53 -45.0 69.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.494 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.35 51.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.892 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -41.8 -47.57 4.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.269 1.428 . . . . 0.0 111.044 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.32 -40.91 77.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.627 0.371 . . . . 0.0 111.351 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.48 -43.64 96.75 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.35 -26.88 20.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.268 0.627 . . . . 0.0 110.025 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.77 27.12 16.56 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.96 1.304 . . . . 0.0 112.722 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -134.81 118.02 13.14 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.9 17.9 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.484 2.123 . . . . 0.0 113.475 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.29 -41.58 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 121.107 -0.995 . . . . 0.0 108.393 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.0 mt -61.01 -38.45 86.1 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -175.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.41 -25.57 66.0 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.345 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -76.81 -47.68 20.79 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.11 -51.49 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -63.72 -30.21 71.34 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.924 -173.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.26 -50.08 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.38 -49.04 73.35 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.457 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -54.13 -49.69 68.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.018 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -45.54 13.47 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 123.501 0.72 . . . . 0.0 110.636 176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -64.67 -49.85 69.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -56.86 -41.23 77.58 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.226 -0.921 . . . . 0.0 111.087 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.14 -38.22 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.05 0.94 . . . . 0.0 108.534 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.91 -42.31 62.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.47 -46.36 18.86 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.706 0.765 . . . . 0.0 111.401 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.5 mt -65.83 -39.12 90.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.962 -0.461 . . . . 0.0 111.49 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -77.04 1.22 18.59 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.609 1.095 . . . . 0.0 113.072 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.27 -28.32 3.11 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.313 1.045 . . . . 0.0 110.582 -165.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 tt -51.03 -29.19 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.254 1.021 . . . . 0.0 113.318 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.37 -70.08 0.11 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.254 1.821 . . . . 0.0 110.984 -176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.37 -65.87 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.069 0 O-C-N 122.14 -0.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -53.94 52.36 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -45.06 -46.04 11.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.263 1.025 . . . . 0.0 110.515 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.55 -53.54 50.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.174 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -51.9 -30.03 22.47 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.043 0.838 . . . . 0.0 111.558 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.89 -56.12 5.65 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.92 38.3 0.7 Allowed 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 122.009 -0.432 . . . . 0.0 110.64 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.92 -72.19 0.13 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.379 -0.826 . . . . 0.0 111.206 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.39 -47.38 70.48 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -170.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.55 -44.3 94.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.682 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -53.1 -43.77 67.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.238 0.927 . . . . 0.0 113.041 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.63 -41.65 86.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 121.309 -0.87 . . . . 0.0 109.941 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -27.25 32.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.185 0.594 . . . . 0.0 112.202 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 13' ' ' LEU . 25.5 mt -72.85 -60.47 2.22 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 108.819 -177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.65 -42.23 12.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.31 -50.51 73.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.828 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -35.56 77.27 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.777 -1.202 . . . . 0.0 110.772 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.47 -34.13 70.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.192 0.997 . . . . 0.0 110.277 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -69.27 -47.1 65.6 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -52.39 -52.81 51.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.036 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.92 6.14 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD22 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -97.72 -55.79 2.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 167.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -58.67 -50.19 74.78 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 109.801 -167.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.96 -35.21 70.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.806 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.42 -30.81 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.23 52.92 10.77 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.307 1.443 . . . . 0.0 113.087 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -108.97 113.9 58.86 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 167.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -60.49 -31.04 91.97 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 CA-C-N 120.793 1.319 . . . . 0.0 109.948 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.78 -37.84 62.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 118.564 0.62 . . . . 0.0 110.671 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.02 70.72 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.741 1.155 . . . . 0.0 108.707 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.53 -46.62 66.82 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 122.139 0.971 . . . . 0.0 111.402 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -69.46 -32.92 72.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.723 -0.611 . . . . 0.0 109.514 -176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 mt -68.89 -42.89 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.417 HD12 ' C ' ' B' ' 33' ' ' LEU 0.258 0.2 OUTLIER -63.57 -34.43 77.79 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.525 -172.205 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.73 -54.62 44.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 110.356 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.23 -49.3 69.77 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.47 -45.04 76.96 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -49.75 5.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.015 0.926 . . . . 0.0 111.923 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.03 -39.88 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.111 0.482 . . . . 0.0 112.21 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.4 -39.92 94.81 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.234 -0.917 . . . . 0.0 110.419 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.3 -41.02 74.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -48.02 -39.63 20.33 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.642 1.177 . . . . 0.0 111.191 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -49.99 -43.62 50.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.54 0.686 . . . . 0.0 111.853 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.57 -46.32 69.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.494 0.718 . . . . 0.0 109.084 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.07 25.75 0.08 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 1.3 t -147.9 -45.69 0.16 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.983 0.81 . . . . 0.0 108.891 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tp 45.59 55.59 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.739 1.616 . . . . 0.0 110.42 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.39 86.04 0.42 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.251 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.26 -65.16 0.05 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.086 0 O-C-N 122.566 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_